SCHEMBL21394829

SCHEMBL21394829

CN1N=C(C(=O)Nc2ccc(Cc3cc(F)cc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
METAP2 P50579 3/20 0.39
GPR52 Q9Y2T5 6/20 0.38
GRM5 P41594 1/20 0.37
RIPK1 Q13546 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
F10 P00742 2/20 0.36

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
SCHEMBL29353757 1.00 RAB9A (0.43) RAB9AMETAP2GPR52GRM5RIPK1
SCHEMBL21395043 0.93 RAB9A (0.47) RAB9AGPR52GRM5ALDH1A1
SCHEMBL29355445 0.93 RAB9A (0.47) RAB9AGPR52GRM5ALDH1A1
SCHEMBL21394586 0.93 RAB9A (0.47) RAB9ARIPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL21394472 0.88 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL29358624 0.88 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL22479674 0.88 RAB9A (0.44) RAB9AGPR52RIPK1SMN1; SMN2NPC1
SCHEMBL29353935 0.87 RAB9A (0.46) RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL21394770 0.87 RAB9A (0.46) RAB9AGRM5SMN1; SMN2ALDH1A1
SCHEMBL21394549 0.87 RAB9A (0.44) RAB9AGPR52RIPK1SMN1; SMN2NPC1

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