SCHEMBL11259565

SCHEMBL11259565

CCC1CSC(Cc2ccc(C)cc2C)(Cn2ccnc2)S1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
KMT2A Q03164 3/20 0.35
CYP19A1 P11511 1/20 0.34
TSHR P16473 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
SCHEMBL11262650 0.90 POLB (0.36) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11258353 0.90 POLB (0.41) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11254508 0.89 POLB (0.40) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11260874 0.86 CYP11B1 (0.46) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11270475 0.85 CYP11B1 (0.45) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11261989 0.83 CYP11B1 (0.45) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11257609 0.83 FNTA (0.39) CYP11B1CYP19A1TSHR
SCHEMBL11270710 0.82 CYP11B1 (0.42) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11255600 0.81 CYP11B1 (0.40) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11261648 0.81 POLB (0.40) POLBCTDSP1TDP1CYP11B1CYP11B2

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