SCHEMBL27737136

SCHEMBL27737136

Cn1ccnc1Cl.F[B-](F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.43
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31
FDPS P14324 2/20 0.31
MCL1 Q07820 1/20 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
SCHEMBL1701532 0.91
Hydrochloric Acid SCHEMBL27737616 0.88
SCHEMBL6833007 0.88
Hydrochloric Acid SCHEMBL27976857 0.88 LPO (0.48) LPOKMT2AKDM4EHTTNPC1
SCHEMBL28151691 0.74 LPO (0.44) LPOKMT2AKDM4EHTTNPC1
SCHEMBL6234008 0.70 FDPS (0.42) LPOKMT2AHTTALDH1A1POLB
Potassium Ion SCHEMBL28802307 0.68 FDPS (0.41) LPOKMT2AHTTALDH1A1POLB
SCHEMBL28001990 0.68 FDPS (0.41) LPOKMT2AHTTALDH1A1POLB
SCHEMBL23044702 0.67 KDM4E (0.42) LPOKMT2AKDM4ENPC1RAB9A
SCHEMBL28457764 0.67 KDM4E (0.42) LPOKMT2AKDM4ENPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602882-A A kind of halogen-free flame-retardant master batch and preparation method thereof 成都硕屋科技有限公司 2018-01-19 CN claimed
CN-107602882-A A kind of halogen-free flame-retardant master batch and preparation method thereof 成都硕屋科技有限公司 2018-01-19 CN disclosed
CN-104993134-B Preparation method of lithium ion battery copper nitrate composite negative electrode material 宁波大学 2017-04-12 CN disclosed
CN-105143172-B DCC-mediated coupling for lipid lowering amide production 西玛贝医药公司 2016-12-14 CN disclosed
CN-106103453-A It is condensed 5 oxazolidinone derivatives 大日本住友制药株式会社 2016-11-09 CN disclosed
CN-102333520-B Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2013-11-06 CN disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed