SCHEMBL21394588

SCHEMBL21394588

CN1N=C(C(=O)Nc2ccc(Cc3ccc(C#N)c(Cl)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
AR P10275 7/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 2/20 0.35
FGFR4 P22455 1/20 0.35
CNR2 P34972 1/20 0.34
F10 P00742 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL29357018 1.00 RAB9A (0.42) RAB9AARS1PR1S1PR3SMN1; SMN2
SCHEMBL21394660 0.90 RAB9A (0.47) RAB9ASMN1; SMN2PARP1F10
SCHEMBL29357828 0.90 RAB9A (0.47) RAB9ASMN1; SMN2PARP1F10
SCHEMBL21394800 0.89 EP300 (0.42) RAB9A
SCHEMBL21394562 0.88 RAB9A (0.42) RAB9APARP1
SCHEMBL29355353 0.88 RAB9A (0.42) RAB9APARP1
SCHEMBL22479674 0.86 RAB9A (0.44) RAB9ASMN1; SMN2F10
SCHEMBL29354561 0.85 RAB9A (0.44) RAB9ASMN1; SMN2PARP1F10
SCHEMBL21394549 0.85 RAB9A (0.44) RAB9ASMN1; SMN2PARP1F10
SCHEMBL21395110 0.85 RAB9A (0.41) RAB9ASMN1; SMN2F10

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