SCHEMBL21394841

SCHEMBL21394841

Cn1nc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 7/20 0.46
MAOA P21397 4/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
FFAR1 O14842 1/20 0.43
TSHR P16473 1/20 0.43
ALOX5 P09917 1/20 0.43
HTT P42858 1/20 0.43
ALKBH1 Q13686 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GID4 Q8IVV7 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
SCHEMBL29357318 1.00 MEN1 (0.48) MEN1KMT2AL3MBTL1MAOBMAOA
SCHEMBL22479581 0.89 MEN1 (0.50) MEN1KMT2AL3MBTL1MAOBMAOA
SCHEMBL21394760 0.85 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL29354586 0.85 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL29357070 0.85 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL21394806 0.85 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL21394741 0.85 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1MAOBMAOA
SCHEMBL21395089 0.84 MEN1 (0.52) MEN1KMT2AMAOBMAOARXRA
SCHEMBL21394399 0.81 KMT2A (0.47) MEN1KMT2AL3MBTL1TSHRHTT
SCHEMBL21395033 0.81 L3MBTL1 (0.45) MEN1KMT2AL3MBTL1MAOBMAOA

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