SCHEMBL7568244

SCHEMBL7568244

CCC(NC(=O)c1cccc2nc3cc(Cl)ccc3nc12)C(N)C(CC)NC(=O)c1cccc2nc3cc(Cl)ccc3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.38
KEAP1 Q14145 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
SCHEMBL7566425 0.89 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7568879 0.88 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566548 0.88 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7568097 0.86 TP53 (0.38) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566996 0.85 TAS1R3 (0.49) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7565816 0.85 KMT2A (0.48) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7568267 0.85 KMT2A (0.48) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7566165 0.85 TAS1R3 (0.39) MAPTKMT2AMEN1TP53RXFP1
SCHEMBL7568076 0.85 AOX1 (0.45) MAPTTP53RXFP1TAS1R3TAS1R1
SCHEMBL7573719 0.85 TAS1R3 (0.44) 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 2 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
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed