SCHEMBL11259161

SCHEMBL11259161

CCCCC1CCSC(CCCn2ccnc2)(Cc2ccccc2)S1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.38
QPCT Q16769 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP19A1 P11511 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
PRKCI P41743 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
SCHEMBL11263272 0.95 CYP1A2 (0.36) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2
SCHEMBL11261707 0.92 QPCT (0.39) TBXAS1QPCTCYP19A1KDM4EALDH1A1
SCHEMBL11270666 0.91 CYP2A6 (0.38) QPCTCYP19A1ALDH1A1CYP11B1CYP11B2
SCHEMBL11268725 0.90 TBXAS1 (0.39) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2
SCHEMBL11261533 0.89 CYP1A2 (0.37) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2
SCHEMBL11265536 0.89 MEN1 (0.43) TBXAS1QPCTCYP19A1CYP1A2CYP3A4
SCHEMBL11260829 0.88 QPCT (0.39) TBXAS1QPCTSMN1; SMN2CYP19A1KDM4E
SCHEMBL10785571 0.87 TBXAS1 (0.45) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2
SCHEMBL11256422 0.87 HMOX1 (0.37) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2
SCHEMBL11259980 0.86 QPCT (0.41) TBXAS1QPCTSMN1; SMN2CYP19A1CYP1A2

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