SCHEMBL21394874

SCHEMBL21394874

Cn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ncc1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.39
F10 P00742 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SNCA P37840 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
FSCN1 Q16658 1/20 0.38

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
SCHEMBL29357522 1.00 ALDH1A1 (0.44) ALDH1A1LMNARXFP1MAPTF10
SCHEMBL21394825 0.87 ALDH1A1 (0.48) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL29356860 0.87 ALDH1A1 (0.48) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL21395147 0.87 NPC1 (0.39) ALDH1A1MAPTF10NPC1RAB9A
SCHEMBL21394760 0.84 L3MBTL1 (0.47) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL29354586 0.84 L3MBTL1 (0.47) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL21394747 0.83 AHR (0.38) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21395017 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL21394883 0.82 MEN1 (0.47) ALDH1A1LMNAMAPTF10MEN1
SCHEMBL21384407 0.82 L3MBTL1 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A

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