SCHEMBL11254508

SCHEMBL11254508

Cc1ccc(CC2(Cn3ccnc3)SCC(C)S2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
KMT2A Q03164 3/20 0.37
CYP19A1 P11511 2/20 0.36
TSHR P16473 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
SCHEMBL11257083 0.89 POLB (0.43) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11273329 0.89 POLB (0.38) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11259565 0.89 POLB (0.38) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11270710 0.85 CYP11B1 (0.42) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11256840 0.84 CYP11B1 (0.48) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11255600 0.83 CYP11B1 (0.40) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11271165 0.82 CYP11B1 (0.48) CYP11B1CYP11B2KMT2ACYP19A1
SCHEMBL11265549 0.82 ADRA2C (0.41) CYP11B1CYP19A1
SCHEMBL11262095 0.82 POLB (0.39) POLBCTDSP1TDP1CYP11B1CYP11B2
SCHEMBL11253666 0.82 POLB (0.44) 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