SCHEMBL8791302

SCHEMBL8791302

CCOc1cc(CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MAPT P10636 5/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.53
ABCB1 P08183 2/20 0.53
ABCC1 P33527 1/20 0.53
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 2/20 0.49
DPP8 Q6V1X1 1/20 0.48
GPR183 P32249 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8790266 0.93 KMT2A (0.58) KMT2AMAPTNPC1ABCB1ABCC1
SCHEMBL8789821 0.84 KMT2A (0.61) KMT2AMAPTNPC1ABCB1ABCC1
SCHEMBL8788627 0.81 KMT2A (0.64) KMT2AMAPTNPC1ABCB1ABCC1
SCHEMBL8790577 0.79 ABCB1 (0.62) KMT2AMAPTLMNANPC1ABCB1
SCHEMBL8790359 0.78 ABCB1 (0.57) MAPTABCB1RAB9AKDM4E
SCHEMBL14996182 0.78 MAPT (0.69) KMT2AMAPTLMNANPC1ABCB1
SCHEMBL13059438 0.77 KMT2A (0.68) KMT2AMAPTLMNANPC1ABCB1
SCHEMBL22782402 0.76 MAPT (0.66) KMT2AMAPTLMNANPC1ABCB1
SCHEMBL8790957 0.76 KMT2A (0.68) KMT2AMAPTNPC1ABCB1ABCC1
SCHEMBL21256062 0.76 MAPT (0.62) KMT2AMAPTLMNANPC1ABCB1

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 5 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-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed