SCHEMBL21394628

SCHEMBL21394628

Cn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(C#N)c3)cn2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
EP300 Q09472 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NTRK1 P04629 1/20 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
SCHEMBL29357585 1.00 ALDH1A1 (0.41) ALDH1A1MAPTTSHRL3MBTL1SIRT2
SCHEMBL21394572 0.91 TSHR (0.44) ALDH1A1MAPTTSHRL3MBTL1NPC1
SCHEMBL29357109 0.91 TSHR (0.44) ALDH1A1MAPTTSHRL3MBTL1NPC1
SCHEMBL21395122 0.90 L3MBTL1 (0.43) ALDH1A1MAPTTSHRL3MBTL1SIRT2
SCHEMBL21394482 0.89 ABCC8 (0.38) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29355390 0.89 ABCC8 (0.38) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21394693 0.88 SIRT2 (0.37) SIRT2
SCHEMBL21394629 0.87 SIRT2 (0.42) ALDH1A1MAPTTSHRL3MBTL1SIRT2
SCHEMBL21394875 0.87 EP300 (0.42) TSHREP300NPC1RAB9ASMN1; SMN2
SCHEMBL29358580 0.87 EP300 (0.42) TSHREP300NPC1RAB9ASMN1; SMN2

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