SCHEMBL11271468

SCHEMBL11271468

CCC1CCSC(Cc2cc(C)cc(C)c2)(Cn2ccnc2)S1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CYP19A1 P11511 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL11260359 0.90 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL11261989 0.89 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1KMT2APOLB
SCHEMBL11264053 0.86 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1POLB
SCHEMBL11257474 0.86 QPCT (0.36) CYP11B1CYP11B2CYP19A1
SCHEMBL11265520 0.84 HMOX1 (0.43) CYP11B1CYP11B2CYP19A1
SCHEMBL11268467 0.84 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1KMT2AMEN1
SCHEMBL10782900 0.83 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL11266369 0.82 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1KMT2APOLB
SCHEMBL11256462 0.82 LMNA (0.38) CYP11B1CYP11B2CYP19A1
SCHEMBL11250126 0.82 HMOX1 (0.38) CYP19A1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed