SCHEMBL11254992

SCHEMBL11254992

CCC1CSC(CCc2ccccc2)(CCn2ccnc2)SC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.42
TBXAS1 P24557 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
QPCT Q16769 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
LTA4H P09960 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 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
SCHEMBL11258567 0.91 CYP19A1 (0.39) HMOX1CYP19A1QPCT
SCHEMBL11261696 0.90 TBXAS1 (0.42) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11273007 0.90 CYP1A2 (0.42) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11294735 0.87 HMOX1 (0.41) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11261528 0.86 HMOX1 (0.47) HMOX1CYP19A1
SCHEMBL11257503 0.86 CYP11B1 (0.44) POLBCYP19A1CYP11B1CYP11B2KMT2A
SCHEMBL11257567 0.85 HMOX1 (0.43) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11268126 0.85 HMOX1 (0.48) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL11255707 0.83 CYP1A2 (0.40) HMOX1TBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL10781122 0.83 TBXAS1 (0.42) TBXAS1CYP11B1CYP11B2QPCTKMT2A

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