SCHEMBL7566444

SCHEMBL7566444

CCC(CN)NC(=O)c1cccc2nc3c(C)cccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
TAS1R2 Q8TE23 2/20 0.44
PTK2 Q05397 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
ALOX5 P09917 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 2/20 0.37
SMARCA2 P51531 1/20 0.37

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
SCHEMBL8009922 0.87 TAS1R3 (0.55) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7998024 0.85 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL8013624 0.85 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7565908 0.83 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7573719 0.82 TAS1R3 (0.44) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7568051 0.81 TAS1R3 (0.51) MAPTTAS1R3TAS1R1TAS1R2PTK2
SCHEMBL7566738 0.80 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7569541 0.78 RAD52 (0.44) TAS1R3TAS1R1TAS1R2PTK2SMN1; SMN2
SCHEMBL7570655 0.75 AOX1 (0.45) TAS1R3TAS1R1TAS1R2PTK2SMN1; SMN2
SCHEMBL7572166 0.75 AOX1 (0.45) MAPTTAS1R3TAS1R1TAS1R2PTK2

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-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed