SCHEMBL9724840

SCHEMBL9724840

O=C/C(=C\c1cccnc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.65
CYP19A1 P11511 1/20 0.65
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP11B1 P15538 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 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
SCHEMBL9724843 1.00 CYP11B2 (0.65) CYP11B2CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL9509602 0.86 MAPT (0.59) CYP11B2CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL9509599 0.86 MAPT (0.59) CYP11B2CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL9507267 0.82 KMT2A (0.55) CYP11B2CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL9509587 0.82 EPHX2 (0.45) CYP11B2CYP19A1CYP1A1CYP1B1CYP3A4
SCHEMBL9509584 0.82 EPHX2 (0.45) CYP11B2CYP19A1CYP1A1CYP1B1CYP3A4
SCHEMBL9507274 0.82 KMT2A (0.55) CYP11B2CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL7995907 0.82 ALDH1A1 (0.54) CYP11B2CYP19A1CYP1B1KMT2AMEN1
SCHEMBL566814 0.82 ALDH1A1 (0.54) CYP11B2CYP19A1CYP1B1KMT2AMEN1
SCHEMBL566813 0.82 ALDH1A1 (0.54) CYP11B2CYP19A1CYP1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162357-A FUNGICIDAL AZOLYLMETHYLOXIRANES BASF AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
EP-0421125-A2 Fungicidal azolylmethyloxiranes BASF Aktiengesellschaft (DE) 1991-04-10 EP disclosed