SCHEMBL24890834

SCHEMBL24890834

COC(=O)c1ccc(C2C[C@@H]2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
ATM Q13315 2/20 0.55
TSHR P16473 2/20 0.55
MAOA P21397 10/20 0.55
MAOB P27338 7/20 0.55
KDM1A O60341 7/20 0.55
KDM6B O15054 1/20 0.54
KDM5C P41229 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KDM3A Q9Y4C1 1/20 0.54
GLA P06280 1/20 0.53
RCOR1 Q9UKL0 3/20 0.50
KDM1B Q8NB78 1/20 0.50

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
SCHEMBL24890814 1.00 KDM4E (0.55) KDM4EHSD17B10ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL17002906 0.98 MAOB (0.56) KDM4EHSD17B10ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL17002905 0.98 MAOB (0.56) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL23992969 0.84 ALDH1A1 (0.53) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL27950455 0.81 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL13984796 0.81 TSHR (0.60) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL24890879 0.81 KDM1A (0.72) KDM4EMAOAMAOBKDM1AKDM6B
SCHEMBL21376180 0.79 FFAR1 (0.53) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL21376182 0.79 FFAR1 (0.53) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL21715036 0.79 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed