SCHEMBL9736989

SCHEMBL9736989

CC(Nc1cc(C(=O)O)cc(S(N)(=O)=O)c1-c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CASR P41180 3/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
PPARG P37231 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
SLC12A2 P55011 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9739881 0.87 SCN1A (0.40) CYP2D6CASRMETAP2METAP1AURKA
SCHEMBL9737111 0.87 SCN1A (0.42) CYP2D6CASRMETAP2METAP1AURKA
SCHEMBL9738323 0.83 KDM4E (0.56) CYP2D6CASRMETAP2METAP1AURKA
SCHEMBL9737832 0.82 TPH1 (0.41) TSHRKDM4EUSP2ALDH1A1CA2
SCHEMBL9736997 0.76 CA2 (0.44) TSHRKDM4EUSP2ALDH1A1CA2
SCHEMBL11787401 0.70 CA2 (0.52) TSHRKDM4EUSP2ALDH1A1CA2
SCHEMBL9736980 0.70 CA2 (0.37) TSHRKDM4EUSP2ALDH1A1CA2
SCHEMBL30944279 0.70 PTGER4 (0.55) AURKARPS6KB1AURKBKDM4EALDH1A1
SCHEMBL28519320 0.70 PTGER4 (0.55) AURKARPS6KB1AURKBKDM4EALDH1A1
SCHEMBL28519323 0.70 PTGER4 (0.55) AURKARPS6KB1AURKBKDM4EALDH1A1

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
US-5145867-A NAPHTHYLALKYLAMINO-SUBSTITUTED SULFAMOYLBENZOIC ACID DERIVATIVES, AND THE USE THEREOF AS MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed