SCHEMBL11007201

SCHEMBL11007201

Cc1ccc(Cn2ccnc2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.67
CYP11B2 P19099 6/20 0.67
CYP19A1 P11511 12/20 0.63
POLB P06746 3/20 0.63
MAPT P10636 2/20 0.56
BRD4 O60885 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TBXAS1 P24557 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
QPCT Q16769 1/20 0.51
CYP4Z1 Q86W10 1/20 0.51
QPCTL Q9NXS2 1/20 0.51

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
SCHEMBL29908918 0.83 POLB (0.81) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL1509681 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1POLBMAPT
Iodide SCHEMBL28192688 0.79 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1POLBMAPT
Hydrochloric Acid SCHEMBL28135987 0.79 CYP11B1 (0.97) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL10417519 0.78 CYP19A1 (1.00) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL8866026 0.78 POLB (1.00) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL30523908 0.77 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL30523909 0.77 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBMAPT
SCHEMBL15179016 0.77 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1POLBMAPT
Hydrochloric Acid SCHEMBL1508037 0.77 CYP19A1 (0.97) CYP11B1CYP11B2CYP19A1POLBMAPT

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
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP disclosed