SCHEMBL21394887

SCHEMBL21394887

CN1N=C(C(=O)Nc2nc(Cl)c(Cc3cccc(F)c3)s2)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 4/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ABL1 P00519 2/20 0.37
SRC P12931 2/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 2/20 0.35
HPGD P15428 1/20 0.35
SCD5 Q86SK9 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL21394836 0.90 ALDH1A1 (0.47) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL29356723 0.90 ALDH1A1 (0.47) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL21395006 0.83 MEN1 (0.52) MAPTALDH1A1RAB9ASMN1; SMN2ABL1
SCHEMBL21394934 0.82 KDM4E (0.47) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL21394882 0.82 SCD (0.52) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL21394962 0.82 NPC1 (0.48) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL29353798 0.82 SCD (0.52) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL21395166 0.80 RAB9A (0.44) MAPTALDH1A1RAB9AKDM4EHTT
SCHEMBL21394922 0.79 RAB9A (0.55) MAPTALDH1A1RAB9AKDM4ELMNA
SCHEMBL29357533 0.79 RAB9A (0.55) MAPTALDH1A1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed