SCHEMBL21394822

SCHEMBL21394822

COc1ccc(CNc2ccc(COc3cccc(Cl)c3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
FYN P06241 1/20 0.47
CLK4 Q9HAZ1 4/20 0.47
DYRK1A Q13627 3/20 0.47
HTT P42858 1/20 0.45
VNN1 O95497 2/20 0.45
EGFR P00533 1/20 0.45
CDK1 P06493 1/20 0.45
PTGDR Q13258 1/20 0.44
PPARA Q07869 1/20 0.43
CASR P41180 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL29442815 1.00 NPC1 (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21394916 0.78 RAB9A (0.63) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21384146 0.75 RAB9A (0.63) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL22479665 0.72 FFAR1 (0.45) MAPTKMT2AHTTGAA
SCHEMBL17602062 0.72 NPC1 (0.65) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21805769 0.71 NPC1 (0.61) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL21384158 0.71 DHFR (0.47) MAPTKMT2AHTTGAA
SCHEMBL29442813 0.71 DHFR (0.47) MAPTKMT2AHTTGAA
SCHEMBL10547669 0.70 CYSLTR1 (0.52)
SCHEMBL1136800 0.70 HTT (0.54) NPC1RAB9AMAPTKMT2AMEN1

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 6 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-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed