SCHEMBL8790359

SCHEMBL8790359

CCOc1cc(CCCN2CCc3cc(OC)c(OC)cc3C2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.57
DHCR7 Q9UBM7 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL8790676 0.92 DHCR7 (0.61) ABCB1DHCR7ABCG2KDM4EGAA
SCHEMBL8790535 0.83 ABCB1 (0.68) ABCB1DHCR7ABCG2
SCHEMBL8790248 0.80 ABCB1 (0.61) ABCB1DHCR7ABCG2
SCHEMBL8788946 0.80 ABCB1 (0.67) ABCB1DHCR7ABCG2
SCHEMBL8789425 0.79 DHCR7 (0.65) ABCB1DHCR7ABCG2
SCHEMBL8790442 0.78 DHCR7 (0.71) ABCB1DHCR7ABCG2KDM4E
SCHEMBL8791302 0.78 KMT2A (0.62) ABCB1KDM4EMAPTRAB9A
SCHEMBL8790998 0.78 ABCB1 (0.71) ABCB1
SCHEMBL2771882 0.76 ABCB1 (0.78) ABCB1DHCR7ABCG2
SCHEMBL311271 0.75 SIGMAR1 (0.59) ABCB1

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
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed