SCHEMBL11261648

SCHEMBL11261648

CCC1CCSC(CCn2ccnc2)(Cc2ccc(C)cc2C)S1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL11258353 0.90 POLB (0.41) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11266929 0.89 POLB (0.39) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11262886 0.86 CYP19A1 (0.41) POLBCTDSP1TDP1TSHRCYP11B1
SCHEMBL11266844 0.86 POLB (0.44) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11257083 0.83 POLB (0.43) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11262248 0.82 POLB (0.42) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11265565 0.82 CYP11B1 (0.41) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11253421 0.82 ALDH1A1 (0.37) TDP1TSHRKMT2ACYP11B1CYP11B2
SCHEMBL11266369 0.82 CYP11B1 (0.41) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11262771 0.81 CYP1A2 (0.39) POLBKMT2ASMN1; SMN2CYP11B1CYP11B2

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