SCHEMBL11262046

SCHEMBL11262046

CCCCC1CSC(CCn2ccnc2)(c2ccccc2)S1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.39
CYP19A1 P11511 3/20 0.37
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11258196 0.91 QPCT (0.40) TBXAS1CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL11255809 0.90 TBXAS1 (0.38) TBXAS1CYP19A1OPRM1OPRL1CYP11B1
SCHEMBL11273217 0.90 QPCT (0.39) TBXAS1CYP19A1CYP11B1CYP11B2CYP1A2
SCHEMBL11268382 0.89 CYP19A1 (0.39) TBXAS1CYP19A1OPRM1OPRL1CYP11B1
SCHEMBL11263602 0.88 KMT2A (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL11269340 0.82 CYP19A1 (0.40) TBXAS1CYP19A1OPRM1OPRL1CYP11B1
SCHEMBL11256558 0.82 CYP1A2 (0.37) TBXAS1CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11251104 0.81 CYP19A1 (0.38) TBXAS1CYP19A1OPRM1OPRL1CYP11B1
SCHEMBL11272439 0.81 HMOX1 (0.38) TBXAS1CYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11254517 0.81 QPCT (0.38) TBXAS1CYP19A1CYP11B1CYP11B2MEN1

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