SCHEMBL21394590

SCHEMBL21394590

CN1N=C(C(=O)Nc2ccc(Cc3cccc(Br)c3)nn2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.38
GLS O94925 8/20 0.36
FAAH O00519 1/20 0.34
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SORT1 Q99523 1/20 0.33
PARP1 P09874 2/20 0.33
NPC1 O15118 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BACE1 P56817 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL29353907 1.00 RAB9A (0.45) RAB9APOLBGLSFAAHHTT
SCHEMBL21394591 0.88 RAB9A (0.45) RAB9APOLBGLSNPC1
SCHEMBL29356718 0.88 RAB9A (0.45) RAB9APOLBGLSNPC1
SCHEMBL29353835 0.88 RAB9A (0.45) RAB9AGLSGRM5
SCHEMBL21394583 0.88 RAB9A (0.45) RAB9AGLSGRM5
SCHEMBL21394513 0.88 RAB9A (0.47) RAB9AGLSHTT
SCHEMBL29358510 0.88 RAB9A (0.47) RAB9AGLSHTT
SCHEMBL29358369 0.87 RAB9A (0.44) RAB9AGLS
SCHEMBL21394501 0.87 RAB9A (0.44) RAB9AGLS
SCHEMBL21394581 0.86 RAB9A (0.43) RAB9APOLBGLSHTTNPC1

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