SCHEMBL11273449

SCHEMBL11273449

CC1CSC(CCn2ccnc2)(Cc2ccc(C(F)(F)F)cc2)SC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.47
HMOX1 P09601 1/20 0.45
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
QPCT Q16769 1/20 0.36
CYP19A1 P11511 2/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11261907 0.91 HMOX1 (0.49) NOS1HMOX1CYP19A1
SCHEMBL11267306 0.91 NOS1 (0.46) NOS1HMOX1ATP4AATP4BQPCT
SCHEMBL11265140 0.90 NOS1 (0.46) NOS1HMOX1ATP4AATP4BQPCT
SCHEMBL11259981 0.88 HMOX1 (0.49) NOS1HMOX1ATP4AATP4BQPCT
SCHEMBL11262929 0.87 QPCT (0.40) HMOX1QPCTCYP19A1
SCHEMBL11261792 0.86 NOS1 (0.44) NOS1HMOX1ATP4AATP4BQPCT
SCHEMBL11257241 0.86 CYP2A6 (0.47) HMOX1CYP19A1TP53
SCHEMBL11266689 0.86 HMOX1 (0.47) NOS1HMOX1CYP19A1
SCHEMBL11265147 0.86 HMOX1 (0.47) NOS1HMOX1ATP4AATP4BQPCT
SCHEMBL11268531 0.85 CYP19A1 (0.43) HMOX1QPCTCYP19A1POLBKMT2A

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