SCHEMBL11261656

SCHEMBL11261656

COc1ccc(CC2(CCn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
CYP19A1 P11511 2/20 0.42
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP11B1 P15538 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11268918 0.94 MEN1 (0.49) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11253331 0.91 CYP3A4 (0.45) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11265246 0.90 ALDH1A1 (0.54) KMT2ALMNAQPCTTBXAS1ALDH1A1
SCHEMBL11267811 0.89 CYP19A1 (0.44) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11266114 0.89 MEN1 (0.43) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11260418 0.88 QPCT (0.39) CYP19A1CYP11B1QPCTTBXAS1ALDH1A1
SCHEMBL11267712 0.88 CYP19A1 (0.46) KMT2ACYP19A1CYP11B1TDP1QPCT
SCHEMBL11255906 0.87 CYP2A6 (0.46) CYP19A1TSHRTP53CYP11B1KDM4E
SCHEMBL11264326 0.87 HMOX1 (0.46) CYP19A1CYP11B1ALDH1A1KDM4EMAPK1
SCHEMBL11260873 0.87 CYP19A1 (0.43) KMT2ACYP19A1CYP1A2CYP3A4CYP2D6

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