SCHEMBL7971245

SCHEMBL7971245

Cn1c2ccccc2c2c(C(=O)O)c(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
GPR3 P46089 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SRC P12931 5/20 0.44
NQO2 P16083 1/20 0.43
MCL1 Q07820 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL20595409 0.82 KDM4E (0.53) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7982444 0.77 KDM4E (0.53) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7981239 0.76 MAPT (0.53) EGFRALDH1A1MAPTHTTSRC
SCHEMBL14313953 0.75 GPR3 (0.71) KDM4EALDH1A1HPGDHSD17B10GPR3
SCHEMBL31670425 0.74 KDM4E (0.66) EGFRKDM4EALDH1A1HPGDHSD17B10
Bicarbonate SCHEMBL9678990 0.73 GPR3 (0.76) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9623265 0.73 POLB (0.53) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19177352 0.72 WDR5 (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11250963 0.72 EGFR (0.56) EGFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14124824 0.72 KDM4E (0.73) EGFRKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed