SCHEMBL11261555

SCHEMBL11261555

CCC1CCSC(CCn2ccnc2)(Cc2ccc(C(C)(C)C)cc2)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 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
SCHEMBL11269327 0.91 HMOX1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11262886 0.89 CYP19A1 (0.41) POLBTDP1LMNACYP19A1QPCT
SCHEMBL11266390 0.88 HMOX1 (0.42) CYP19A1HMOX1
SCHEMBL11262771 0.88 CYP1A2 (0.39) KMT2APOLBMAPTSMN1; SMN2CYP1A2
SCHEMBL11267828 0.86 MEN1 (0.42) KMT2AMEN1TDP1GAAMAPT
SCHEMBL11270017 0.84 QPCT (0.42) KDM4ESMN1; SMN2LMNACYP19A1HMOX1
SCHEMBL11270501 0.83 HMOX1 (0.45) CYP19A1HMOX1QPCT
SCHEMBL11257979 0.82 KMT2A (0.42) KMT2APOLBMEN1TDP1KDM4E
SCHEMBL11253700 0.82 KMT2A (0.43) KMT2APOLBMEN1TDP1KDM4E
SCHEMBL11250126 0.82 HMOX1 (0.38) CYP3A4CYP19A1HMOX1QPCT

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