SCHEMBL21394510

SCHEMBL21394510

Cn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)nn2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CREBBP Q92793 1/20 0.45
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 3/20 0.39
GLS O94925 1/20 0.39
P2RY14 Q15391 1/20 0.38
MLLT1 Q03111 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ROCK2 O75116 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL29358244 1.00 ALDH1A1 (0.48) ALDH1A1CREBBPABL1SRCRXFP1
SCHEMBL29356259 0.88 ALDH1A1 (0.53) ALDH1A1ABL1SRCRXFP1MAPT
SCHEMBL21394486 0.88 ALDH1A1 (0.53) ALDH1A1ABL1SRCRXFP1MAPT
SCHEMBL21394445 0.88 CREBBP (0.45) CREBBPABL1SRCGLSP2RY14
SCHEMBL29357564 0.88 CREBBP (0.45) CREBBPABL1SRCGLSP2RY14
SCHEMBL21394825 0.84 ALDH1A1 (0.48) ALDH1A1CREBBPMAPTSMN1; SMN2MEN1
SCHEMBL29356860 0.84 ALDH1A1 (0.48) ALDH1A1CREBBPMAPTSMN1; SMN2MEN1
SCHEMBL21394776 0.83 RXFP1 (0.46) ALDH1A1CREBBPRXFP1MAPTSMN1; SMN2
SCHEMBL21394600 0.83 L3MBTL1 (0.47) ALDH1A1RXFP1MAPTGLSSMN1; SMN2
SCHEMBL29356767 0.83 L3MBTL1 (0.47) ALDH1A1RXFP1MAPTGLSSMN1; 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