SCHEMBL11264689

SCHEMBL11264689

Cc1cc(C)c(CC2(Cn3ccnc3)SCCC(C)S2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
CYP19A1 P11511 1/20 0.32
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11269922 0.83 CYP11B1 (0.50) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11260874 0.81 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11262884 0.80 CYP11B1 (0.35) CYP11B1CYP11B2KMT2ACYP19A1POLB
SCHEMBL10782792 0.80 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL11253614 0.78 HMOX1 (0.47) CYP11B1CYP11B2CYP19A1
SCHEMBL11252108 0.78 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1
SCHEMBL10781120 0.77 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL11264488 0.77 HMOX1 (0.40)
SCHEMBL11253922 0.77 HMOX1 (0.44) CYP11B1CYP11B2CYP19A1
SCHEMBL11259885 0.77 CYP2C9 (0.40) CYP11B1LMNACYP19A1

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