SCHEMBL11560792

SCHEMBL11560792

c1ccc2c(c1)ccc1cc(Cn3ccnc3)sc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CYP19A1 P11511 8/20 0.52
CYP11B1 P15538 10/20 0.49
CYP11B2 P19099 10/20 0.49
TBXAS1 P24557 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
QPCT Q16769 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
QPCTL Q9NXS2 1/20 0.45

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
SCHEMBL27705085 0.72 POLB (0.62) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL8866026 0.72 POLB (1.00) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL9097244 0.72 POLB (0.55) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11550446 0.71 POLB (0.57) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11010710 0.70 POLB (0.60) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL3473120 0.70 POLB (0.60) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL13907297 0.70 CYP11B1 (0.68) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11555502 0.70 POLB (0.68) POLBCYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL22871616 0.70 RAB9A (0.44) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL13907298 0.69 CYP11B1 (0.63) POLBCYP19A1CYP11B1CYP11B2TBXAS1

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
US-4171366-A 1-Naphthothienylalkyl-1H-imidazoles CIBA-GEIGY CORPORATION (US) 1979-10-16 US disclosed