SCHEMBL11279305

SCHEMBL11279305

c1ccc(CCCC(Cc2ccccc2)Cn2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
QPCT Q16769 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
TBXAS1 P24557 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
QPCTL Q9NXS2 1/20 0.50
HMOX1 P09601 1/20 0.44

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
SCHEMBL11287464 0.93 CYP1A2 (0.52) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11281758 0.93 CYP1A2 (0.52) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11304071 0.92 CYP19A1 (0.53) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11281773 0.90 CYP19A1 (0.51) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11285819 0.88 CYP19A1 (0.55) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11286358 0.87 CYP11B1 (0.61) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11285897 0.86 CYP2A6 (0.54) CYP19A1CYP1A2CYP3A4CYP2D6CYP11B1
SCHEMBL10942251 0.86 TBXAS1 (0.48) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11302368 0.86 CYP1A2 (0.48) CYP19A1QPCTCYP1A2POLBCYP3A4
SCHEMBL11282904 0.86 CYP11B1 (0.51) CYP19A1QPCTCYP1A2POLBCYP3A4

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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed