SCHEMBL30928337

SCHEMBL30928337

O=CC(Cn1ccnc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.55
HMOX2 P30519 1/20 0.52
TBXAS1 P24557 3/20 0.49
QPCT Q16769 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CYP4Z1 Q86W10 1/20 0.49
QPCTL Q9NXS2 1/20 0.49

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
SCHEMBL27956581 0.91 CYP17A1 (0.54) CYP19A1CYP3A4MAPTCYP11B1CYP11B2
SCHEMBL27956579 0.84 CYP19A1 (0.53) CYP19A1CYP3A4CYP2D6CYP11B1CYP11B2
SCHEMBL27956540 0.84 CYP19A1 (0.56) CYP19A1POLBCYP11B1CYP11B2
SCHEMBL27956564 0.84 HMOX1 (0.59) CYP19A1CYP11B1CYP11B2
SCHEMBL27709549 0.83 CYP19A1 (0.52) CYP19A1POLBCYP11B1CYP11B2
SCHEMBL27956569 0.82 CYP19A1 (0.47) CYP19A1CYP1A2CYP3A4MAPTCYP11B1
SCHEMBL10652258 0.81 CYP19A1 (0.69) CYP19A1HMOX2TBXAS1QPCTCYP1A2
SCHEMBL28947592 0.81 CYP19A1 (0.55) CYP19A1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11737828 0.80 CYP19A1 (0.51) CYP19A1HMOX2TBXAS1QPCTCYP1A2
SCHEMBL11737831 0.80 CYP19A1 (0.51) CYP19A1HMOX2TBXAS1QPCTCYP1A2

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
CN-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed