SCHEMBL11268909

SCHEMBL11268909

Cc1cc(C)cc(CC2(CCn3ccnc3)SCCCS2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.37
QPCT Q16769 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
PRKCI P41743 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
SCHEMBL11272520 0.95 CYP11B1 (0.51) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11254671 0.93 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11258631 0.88 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1CYP19A1QPCT
SCHEMBL11262007 0.82 CYP19A1 (0.47) CYP11B1CYP11B2KMT2ACYP19A1QPCT
SCHEMBL11270175 0.82 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1CYP19A1QPCT
SCHEMBL11260803 0.82 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11268467 0.82 CYP11B1 (0.54) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11251892 0.81 QPCT (0.47) CYP11B1CYP11B2ALDH1A1CYP19A1QPCT
SCHEMBL11254617 0.81 CYP19A1 (0.40) KMT2ACYP19A1
SCHEMBL11262618 0.81 CYP11B1 (0.49) CYP11B1CYP11B2KMT2ACYP19A1

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