SCHEMBL11270175

SCHEMBL11270175

Cc1ccc(CC2(CCn3ccnc3)SCCS2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 1/20 0.51
QPCT Q16769 2/20 0.45
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRKCI P41743 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL11258631 0.95 CYP11B1 (0.49) CYP11B1CYP11B2CYP19A1QPCTALDH1A1
SCHEMBL11269437 0.93 QPCT (0.49) CYP11B1CYP11B2CYP19A1QPCTALDH1A1
SCHEMBL11252384 0.90 QPCT (0.46) CYP11B1CYP11B2CYP19A1QPCTALDH1A1
SCHEMBL11270311 0.89 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1QPCT
SCHEMBL11251892 0.88 QPCT (0.47) CYP11B1CYP11B2CYP19A1QPCTALDH1A1
SCHEMBL11260158 0.88 CYP19A1 (0.42) CYP19A1
SCHEMBL11272520 0.87 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1ALDH1A1POLB
SCHEMBL11260572 0.87 HMOX1 (0.52) CYP11B1CYP11B2CYP19A1
SCHEMBL11264249 0.87 CYP2A6 (0.52) CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL11259165 0.87 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1QPCTPOLB

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