SCHEMBL11256558

SCHEMBL11256558

CCCCC1CSC(CCn2ccnc2)(Cc2ccccc2)S1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 1/20 0.37
TBXAS1 P24557 3/20 0.37
CYP19A1 P11511 2/20 0.37
QPCT Q16769 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL11268725 0.95 TBXAS1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11261626 0.92 QPCT (0.38) TBXAS1CYP19A1QPCTSMN1; SMN2ALDH1A1
SCHEMBL11265825 0.91 CYP19A1 (0.40) TBXAS1CYP19A1QPCTPOLBCYP11B1
SCHEMBL11272439 0.91 HMOX1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11269136 0.90 CYP2A6 (0.40) CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11263272 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11258083 0.90 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11255025 0.90 TBXAS1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL11262057 0.89 MEN1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11265012 0.86 QPCT (0.40) TBXAS1CYP19A1QPCTPOLBCYP11B1

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