SCHEMBL28448668

SCHEMBL28448668

CC(=O)c1cc(Cl)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ THRB P10828 1/20 0.48
▸ BAZ2B Q9UIF8 9/20 0.46
▸ BAZ2A Q9UIF9 9/20 0.46
▸ TP53 P04637 3/20 0.46
▸ BRD9 Q9H8M2 2/20 0.46
▸ FNTA P49354 2/20 0.44
▸ FNTB P49356 2/20 0.44
▸ BRD4 O60885 2/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27767830 0.84 FNTA (0.60) MAPTFNTAFNTBKDM4EALDH1A1
SCHEMBL29412239 0.81 MAPT (0.68) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL17339106 0.78 FNTA (0.60) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL17339164 0.77 MAPT (0.46) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL18549567 0.74 TP53 (0.44) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL9531095 0.71 FNTA (0.69) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL17339148 0.71 ALDH1A1 (0.61) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL18549629 0.71 MAPT (0.50) MAPTTHRBBAZ2BBAZ2ATP53
SCHEMBL18549638 0.70 KDM4E (0.53) MAPTTHRBTP53FNTAFNTB
SCHEMBL12394725 0.69 FNTA (0.54) MAPTTHRBBAZ2BBAZ2ATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892579-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-07-25 — — CN disclosed
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 — — CN disclosed
CN-111892579-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-06 — — CN disclosed
CN-111875585-A Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-11-03 — — CN disclosed
CN-106660993-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2020-09-11 — — CN disclosed
Send feedback