SCHEMBL11269327

SCHEMBL11269327

CCC1CCSC(CCn2ccnc2)(Cc2ccc(C(F)(F)F)cc2)S1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.41
NOS1 P29475 4/20 0.40
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
QPCT Q16769 1/20 0.35
CYP3A4 P08684 2/20 0.33
MCHR1 Q99705 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL11270501 0.92 HMOX1 (0.45) HMOX1NOS1ATP4AATP4BQPCT
SCHEMBL11261555 0.91 KMT2A (0.40) HMOX1QPCTCYP3A4CYP1A2CYP2D6
SCHEMBL11261792 0.90 NOS1 (0.44) HMOX1NOS1ATP4AATP4BQPCT
SCHEMBL11250126 0.90 HMOX1 (0.38) HMOX1NOS1ATP4AATP4BQPCT
SCHEMBL11252110 0.89 HMOX1 (0.43) HMOX1NOS1ATP4AATP4BQPCT
SCHEMBL11262886 0.88 CYP19A1 (0.41) QPCT
SCHEMBL11266390 0.87 HMOX1 (0.42) HMOX1NOS1
SCHEMBL11262771 0.87 CYP1A2 (0.39) HMOX1QPCTCYP3A4CYP1A2CYP2D6
SCHEMBL11267828 0.86 MEN1 (0.42) QPCTCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11258691 0.85 NOS1 (0.44) HMOX1NOS1ATP4AATP4BQPCT

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