SCHEMBL11269446

SCHEMBL11269446

CC1CCSC(CCn2ccnc2)(Cc2ccccc2)S1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP19A1 P11511 2/20 0.41
QPCT Q16769 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TBXAS1 P24557 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HMOX1 P09601 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11259980 0.94 QPCT (0.41) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11256826 0.90 QPCT (0.40) CYP19A1QPCTCYP11B1CYP11B2HMOX1
SCHEMBL11260589 0.89 HMOX1 (0.44) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11258875 0.89 CYP2A6 (0.44) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11260873 0.89 CYP19A1 (0.43) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11262771 0.88 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11252110 0.86 HMOX1 (0.43) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11259165 0.86 CYP19A1 (0.49) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11263272 0.85 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6CYP19A1QPCT
SCHEMBL11255945 0.84 QPCT (0.43) CYP19A1QPCTCYP11B1CYP11B2HMOX1

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