SCHEMBL11261369

SCHEMBL11261369

CCC1CSC(CCn2ccnc2)(Cc2cc(C)cc(C)c2)S1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 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
SCHEMBL11261780 0.89 CYP19A1 (0.43) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11261989 0.89 CYP11B1 (0.45) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11260803 0.88 CYP11B1 (0.46) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11260023 0.86 QPCT (0.38) CYP11B1CYP11B2KDM4EALDH1A1CYP19A1
SCHEMBL11255025 0.86 TBXAS1 (0.40) CYP11B1CYP11B2KMT2APOLBALDH1A1
SCHEMBL11258901 0.84 CYP2A6 (0.43) CYP11B1CYP11B2KDM4ECYP19A1
SCHEMBL11253358 0.84 CYP19A1 (0.37) KMT2ACYP19A1
SCHEMBL11271370 0.84 HMOX1 (0.44) CYP11B1CYP11B2KDM4EALDH1A1CYP19A1
SCHEMBL11258353 0.84 POLB (0.41) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11262883 0.83 QPCT (0.42) CYP11B1CYP11B2POLBCTDSP1TDP1

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