SCHEMBL21394486

SCHEMBL21394486

CCn1cc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)nn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 5/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
PDE10A Q9Y233 1/20 0.40
ROCK2 O75116 1/20 0.39
P2RY14 Q15391 1/20 0.39
KLKB1 P03952 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 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
SCHEMBL29356259 1.00 ALDH1A1 (0.53) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL21394942 0.89 TP53 (0.46) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL29358244 0.88 ALDH1A1 (0.48) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL21394510 0.88 ALDH1A1 (0.48) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL21394683 0.85 ALDH1A1 (0.53) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL29357290 0.85 ALDH1A1 (0.53) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL21395138 0.82 MAPT (0.47) ALDH1A1MAPTBRD4BRD2BRD3
SCHEMBL29353756 0.82 SMN1; SMN2 (0.41) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL21394511 0.82 SMN1; SMN2 (0.41) ALDH1A1MAPTPOLBTP53LMNA
SCHEMBL21394600 0.79 L3MBTL1 (0.47) ALDH1A1MAPTPOLBKMT2ALMNA

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