SCHEMBL11260874

SCHEMBL11260874

CCC1CSC(Cc2c(C)cc(C)cc2C)(Cn2ccnc2)S1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
CYP19A1 P11511 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
SCHEMBL11261989 0.88 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11265755 0.88 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11259565 0.86 POLB (0.38) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11269922 0.84 CYP11B1 (0.50) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL11253453 0.84 CYP11B1 (0.43) CYP11B1CYP11B2KMT2A
SCHEMBL11258724 0.84 ADRA2C (0.34) CYP11B1CYP11B2ALDH1A1LMNACYP19A1
SCHEMBL11270475 0.83 CYP11B1 (0.45) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11264689 0.81 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10785527 0.81 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL11262650 0.81 POLB (0.36) CYP11B1CYP11B2KMT2APOLBCTDSP1

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