SCHEMBL7899171

SCHEMBL7899171

CCc1c2cc[nH]c(=O)c2c(C)c2c1[nH]c1ccc(OCc3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.56
LIMK2 P53671 1/20 0.56
GABRA1 P14867 4/20 0.52
GABRG2 P18507 4/20 0.52
GABRB3 P28472 4/20 0.52
GABRA5 P31644 4/20 0.52
GABRA3 P34903 4/20 0.52
GABRA2 P47869 4/20 0.52
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
CHEK1 O14757 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46

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
SCHEMBL614498 0.91 LIMK1 (0.67) LIMK1LIMK2GABRA1GABRG2GABRB3
SCHEMBL615545 0.80 MAOA (0.53) LIMK1LIMK2GABRA1GABRG2GABRB3
SCHEMBL5879186 0.74 MAOA (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL613137 0.73 LIMK1 (0.68) LIMK1LIMK2ALDH1A1MAPTHPGD
SCHEMBL612219 0.72 LIMK1 (1.00) LIMK1LIMK2CHEK1ALDH1A1MAPT
SCHEMBL5879315 0.70 MAOB (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18796679 0.70 MAOA (0.62) MAOAMAOBTRPM8CTSVCTSL
SCHEMBL10022322 0.70 CHEK1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25904061 0.69 MAOA (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11160990 0.69 KIT (0.69) GABRA1GABRG2GABRB3GABRA5GABRA3

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
WO-2010095042-A2 PYRIDOCARBAZOLE TYPE COMPOUNDS AND APPLICATIONS THEREOF CENTRE NATONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-08-26 WO disclosed