SCHEMBL11270205

SCHEMBL11270205

Cc1ccc(CCC(Cc2ccccc2C)Cn2ccnc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
IDO1 P14902 1/20 0.43
CYP19A1 P11511 4/20 0.42
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11284437 0.94 CYP11B1 (0.52) CYP11B1CYP11B2IDO1CYP19A1POLB
SCHEMBL11287184 0.91 CYP11B1 (0.44) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL11274846 0.90 IDO1 (0.43) CYP11B1CYP11B2IDO1CYP19A1TDP1
SCHEMBL11285968 0.89 CYP11B1 (0.44) CYP11B1CYP11B2IDO1CYP19A1POLB
SCHEMBL11286350 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL11273960 0.87 CYP11B1 (0.52) CYP11B1CYP11B2IDO1CYP19A1TDP1
SCHEMBL11273980 0.86 CYP11B1 (0.47) CYP11B1CYP11B2IDO1CYP19A1POLB
SCHEMBL11279504 0.86 IDO1 (0.45) CYP11B1CYP11B2IDO1CYP19A1TDP1
SCHEMBL11277864 0.85 CYP11B1 (0.48) CYP11B1CYP11B2IDO1CYP19A1POLB
SCHEMBL11267370 0.85 CYP11B1 (0.55) CYP11B1CYP11B2IDO1CYP19A1POLB

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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed