SCHEMBL7565908

SCHEMBL7565908

CCC(NC(=O)c1cccc2nc3c(C)cccc3nc12)C(N)C(CC)NC(=O)c1cccc2nc3c(C)cccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HTT P42858 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 3/20 0.37
SMARCA2 P51531 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL7566738 0.96 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566425 0.90 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7564995 0.88 TAS1R3 (0.41) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566996 0.87 TAS1R3 (0.49) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7565063 0.85 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7565793 0.85 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566548 0.85 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7568879 0.85 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7564172 0.84 TAS1R3 (0.41) MAPTKMT2AKDM4EATMTAS1R3
SCHEMBL7567031 0.83 TAS1R3 (0.48) MAPTCYP1A2CYP2C9CYP2C19KMT2A

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
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed