SCHEMBL21394501

SCHEMBL21394501

COc1cccc(Cc2ccc(NC(=O)C3=NN(C)C(=O)CC3)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
GLS O94925 9/20 0.43
BRD4 O60885 1/20 0.41
GPR52 Q9Y2T5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NR3C2 P08235 1/20 0.39
IDH1 O75874 1/20 0.39
FPR1 P21462 3/20 0.38
FPR2 P25090 2/20 0.38

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
SCHEMBL29358369 1.00 RAB9A (0.44) RAB9AGLSBRD4GPR52ALDH1A1
SCHEMBL29353835 0.87 RAB9A (0.45) RAB9AGLSMAPT
SCHEMBL21394591 0.87 RAB9A (0.45) RAB9AGLSBRD4GPR52ALDH1A1
SCHEMBL29353907 0.87 RAB9A (0.45) RAB9AGLS
SCHEMBL29356718 0.87 RAB9A (0.45) RAB9AGLSBRD4GPR52ALDH1A1
SCHEMBL21394590 0.87 RAB9A (0.45) RAB9AGLS
SCHEMBL21394583 0.87 RAB9A (0.45) RAB9AGLSMAPT
SCHEMBL21394513 0.86 RAB9A (0.47) RAB9AGLSBRD4ALDH1A1MAPT
SCHEMBL29358510 0.86 RAB9A (0.47) RAB9AGLSBRD4ALDH1A1MAPT
SCHEMBL21394592 0.86 RAB9A (0.43) RAB9AGPR52ALDH1A1MAPTNR3C2

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 9 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-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