SCHEMBL8415083

SCHEMBL8415083

Cc1cccc2nc3cccc(C([NH])=O)c3nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 2/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.37
HPSE Q9Y251 1/20 0.35
AR P10275 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL5457153 0.85 ALDH1A1 (0.69) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL28345812 0.83 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7564139 0.83 PARP1 (0.53) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL15255336 0.81 KDM4E (0.59) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5448034 0.79 ALDH1A1 (0.71) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8411208 0.78 PARP1 (0.54) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL626969 0.75 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL31399388 0.75 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29406087 0.75 RAD52 (0.55) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7566595 0.75 ALDH1A1 (0.69) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed