SCHEMBL57722

SCHEMBL57722

C1=Nc2ccccc2CO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29419570 1.00 TRPA1 (0.41) TRPA1NPC1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3826140 0.98 TRPA1 (0.39) TRPA1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11443029 0.75 TRPA1 (0.36) TRPA1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL11443028 0.75 TRPA1 (0.36) TRPA1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10716002 0.70 TRPA1 (0.38) TRPA1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2104835 0.67 TRPA1 (0.41) TRPA1NOS3NOS1NOS2
SCHEMBL29444405 0.67 HTR5A (0.32) KDM4E
SCHEMBL1072976 0.67
SCHEMBL11035108 0.66 TRPA1 (0.58) TRPA1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3707141 0.65 NOS3 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 692 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164531-A 2, 4-disubstituted 4H-benzo [ d ] [1,3] oxazine series, preparation method and application thereof 江西师范大学 2023-12-05 CN claimed
CN-114671825-B Synthesis method of chiral 4H-3, 1-benzoxazine compound containing selenoaryl 安徽泽升科技有限公司 2023-04-28 CN claimed
CN-115850200-A Polymerizable 3, 1-benzoxazine substituted phenol monomer, preparation method, cured product and application 西安交通大学 2023-03-28 CN claimed
CN-111943903-B Preparation method of 3, 1-benzoxazine derivative started by ketone free radical 宁波大学 2022-10-04 CN claimed
CN-114671825-A Synthetic method of chiral 4H-3, 1-benzoxazine compound containing selenium aryl 安徽泽升科技有限公司 2022-06-28 CN claimed
CN-110804740-B Method for electrochemically synthesizing sulfonyl-containing 4-hydro-benzo [ d ] [1,3] oxazine and derivative thereof 华南理工大学 2021-09-21 CN claimed
CN-111943903-A Preparation method of 3, 1-benzoxazine derivative started by ketone free radical 宁波大学 2020-11-17 CN claimed
CN-110804740-A Method for electrochemically synthesizing sulfonyl-containing 4-hydro-benzo [ d ] [1,3] oxazine and derivative thereof 华南理工大学 2020-02-18 CN claimed
CN-106831632-B A kind of 4H-3,1- benzoxazine compounds catalysis oxidation synthetic method 浙江工业大学 2019-04-23 CN claimed
US-RE47009-E1 HDAC inhibitors and therapeutic methods using the same THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2018-08-28 US claimed
US-RE32087-E 4H-3,1-Benzoxazine derivatives BASF AKTIENGESELLSCHAFT (DE) 1986-02-25 US claimed
US-4523942-A 4H-3,1-Benzoxazine derivatives, compositions and herbicidal use BASF AKTIENGESELLSCHAFT (DE) 1985-06-18 US claimed
EP-0049398-B1 4H-3,1-BENZOXAZIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-06 EP claimed
EP-0120480-A1 4H-3,1-benzoxazine derivatives, process for producing the same and agricultural or horticultural fungicide containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1984-10-03 EP claimed
EP-0017931-B1 4H-3,1-BENZOXAZINE DERIVATIVES, METHODS OF THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRABLE VEGETATION BASF Aktiengesellschaft (DE) 1984-03-07 EP claimed
EP-0032242-B1 4H-3,1-BENZOXAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN INHIBITING THE GROWTH OF UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1983-12-14 EP claimed
US-4363651-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-12-14 US claimed
US-4315766-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
US-4261894-A Process for the preparation of optionally substituted 2,3-indolinediones SANDOZ, INC. (US) 1981-04-14 US claimed
US-4212804-A Process for the preparation of optionally substituted 2,3-indolinediones SANDOZ, INC. (US) 1980-07-15 US claimed