SCHEMBL9371997

SCHEMBL9371997

ClC(Cn1ccnc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.53
CYP19A1 P11511 5/20 0.47
CYP11B2 P19099 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
TBXAS1 P24557 1/20 0.45
QPCT Q16769 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
IDO1 P14902 1/20 0.44
HMOX2 P30519 1/20 0.42

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
SCHEMBL9373635 0.85 CYP19A1 (0.60) CYP11B1CYP19A1CYP11B2CYP1A2POLB
Hydrochloric Acid SCHEMBL11612301 0.83 CYP19A1 (0.58) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL6301112 0.83 CYP19A1 (0.61) CYP11B1CYP19A1
SCHEMBL6299490 0.83 CYP19A1 (0.61) CYP11B1CYP19A1
SCHEMBL11696644 0.77 CYP19A1 (0.59) CYP11B1CYP19A1CYP11B2CYP1A2CYP3A4
SCHEMBL9374363 0.75 CYP19A1 (0.60) CYP11B1CYP19A1CYP11B2IDO1
SCHEMBL11701649 0.75 HMOX1 (0.64) CYP11B1CYP19A1CYP11B2IDO1
SCHEMBL10652258 0.74 CYP19A1 (0.69) CYP11B1CYP19A1CYP11B2CYP1A2POLB
SCHEMBL9368893 0.74 IDO1 (0.53) CYP19A1CYP1A2CYP3A4MAPTTBXAS1
SCHEMBL11700389 0.73 CYP17A1 (0.50) CYP11B1CYP19A1CYP11B2QPCT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188383-B1 Imidazole derivatives, their preparation and therapeutic use SANKYO CO (JP) 1994-04-27 EP disclosed
US-4894385-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1990-01-16 US disclosed
EP-0188383-A2 Imidazole derivatives, their preparation and therapeutic use SANKYO COMPANY LIMITED (JP) 1986-07-23 EP disclosed