SCHEMBL11243518

SCHEMBL11243518

CC1OC(CCn2ccnc2)(c2ccccc2)OC1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
LTA4H P09960 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL11239956 0.92 CYP19A1 (0.47) TBXAS1CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11238178 0.91 CYP19A1 (0.46) TBXAS1CYP19A1KMT2AMAPK1MEN1
SCHEMBL11241448 0.88 QPCT (0.46) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL11246686 0.88 TP53 (0.47) CYP19A1CYP11B1CYP11B2QPCTALDH1A1
SCHEMBL11259562 0.85 CYP19A1 (0.46) TBXAS1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL11243811 0.85 MEN1 (0.51) CYP19A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11244013 0.85 LMNA (0.42) CYP19A1POLBQPCTALDH1A1ALOX15
SCHEMBL11235557 0.84 HMOX1 (0.47) TBXAS1CYP19A1CYP11B1CYP11B2OPRM1
SCHEMBL11243314 0.81 ALDH1A1 (0.55) TBXAS1CYP19A1QPCTLTA4HKMT2A
SCHEMBL11241264 0.81 CYP11B1 (0.49) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed