SCHEMBL7408443

SCHEMBL7408443

COc1ccc(N)cc1C1=CCNC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NR4A1 P22736 1/20 0.35
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
HTR2A P28223 2/20 0.34
HTR1A P08908 1/20 0.34
NTRK1 P04629 1/20 0.34
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
ADRA1A P35348 1/20 0.33
DRD5 P21918 1/20 0.33

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
SCHEMBL7412479 0.78 PNMT (0.47) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL27185972 0.72 ALDH1A1 (0.55) KDM4EALDH1A1USP2KDM4CMAPT
SCHEMBL14661038 0.70 HTT (0.39) KDM4EALDH1A1MAPTLMNAHTT
SCHEMBL2550589 0.70 ACHE (0.45) KDM4EALDH1A1MAPK1HTT
SCHEMBL4605690 0.69 ALDH1A1 (0.40) KDM4EALDH1A1USP2GAATSHR
SCHEMBL7033282 0.66 QDPR (0.56) KDM4EMAPTGAACCNT1CDK9
Hydrochloric Acid SCHEMBL7030177 0.66 QDPR (0.56) KDM4EMAPTGAACCNT1CDK9
SCHEMBL30839803 0.66 MAPT (0.52) KDM4EALDH1A1USP2KDM4CMAPT
SCHEMBL3784958 0.66 NTRK1 (0.49) KDM4EALDH1A1USP2KDM4CMAPT
SCHEMBL27185970 0.66 MAPT (0.52) KDM4EALDH1A1USP2KDM4CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO disclosed