SCHEMBL7567602

SCHEMBL7567602

Cc1ccc(C(=O)O)c2nc3ccccc3nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE10A Q9Y233 2/20 0.41
ALOX15 P16050 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL18422726 0.89 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2CYP1A2PDE10A
SCHEMBL7566595 0.84 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17413610 0.83 GABRP (0.48) ALDH1A1SMN1; SMN2CYP1A2GABRPGABRD
SCHEMBL812440 0.80 NQO2 (0.56) ALDH1A1MAPTCYP1A2HPGDHSD17B10
SCHEMBL16431191 0.80 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2CYP1A2HPGD
SCHEMBL29817666 0.80 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2CYP1A2HPGD
SCHEMBL7572004 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2C19PDE10A
SCHEMBL5448034 0.79 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8270337 0.78 NQO2 (0.68) ALDH1A1MAPTPDE10AALOX15HPGD
SCHEMBL7569010 0.77 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 4 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 disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
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