SCHEMBL21394583

SCHEMBL21394583

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
GLS O94925 9/20 0.40
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.36
CYP2C19 P33261 1/20 0.35
FSCN1 Q16658 1/20 0.35
GRM5 P41594 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL29353835 1.00 RAB9A (0.45) RAB9AGLSRXFP1MAPTLMNA
SCHEMBL22479672 0.92 RAB9A (0.45) RAB9AGLSRXFP1P2RX7
SCHEMBL29353907 0.88 RAB9A (0.45) RAB9AGLSGRM5
SCHEMBL21394590 0.88 RAB9A (0.45) RAB9AGLSGRM5
SCHEMBL29356718 0.88 RAB9A (0.45) RAB9AGLSMAPTFSCN1
SCHEMBL21394591 0.88 RAB9A (0.45) RAB9AGLSMAPTFSCN1
SCHEMBL29357147 0.88 RAB9A (0.47) RAB9AGLSMAPTLMNAP2RX7
SCHEMBL21394495 0.88 RAB9A (0.47) RAB9AGLSMAPTLMNAP2RX7
SCHEMBL21394513 0.88 RAB9A (0.47) RAB9AGLSMAPTLMNA
SCHEMBL29358510 0.88 RAB9A (0.47) RAB9AGLSMAPTLMNA

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-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
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