SCHEMBL11226784

SCHEMBL11226784

O=C(Cn1ccnc1)c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLAA Q9Y263 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HMOX2 P30519 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM4E B2RXH2 1/20 0.46
AHR P35869 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11228752 0.81 CYP19A1 (0.52) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL10476950 0.80 ALPG (0.58) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL29669830 0.78 CA12 (0.56) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL11230081 0.78 CYP11B1 (0.53) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL18788080 0.78 CYP19A1 (0.52) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL10878611 0.78 CA12 (0.56) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL11275825 0.76 CYP11B1 (0.55) CYP19A1HMOX2CYP11B1CYP11B2
SCHEMBL11276476 0.76 POLB (0.55) CYP19A1ALPIALPGTDP1PLAA
Hydrochloric Acid SCHEMBL9996122 0.75 POLB (0.54) CYP19A1ALPIALPGTDP1PLAA
SCHEMBL11231205 0.74 CYP19A1 (0.67) CYP19A1ALPIALPGTDP1PLAA

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-4351948-A Imidazole hydrazone derivatives G.D. SEARLE & CO. (US) 1982-09-28 US disclosed