SCHEMBL11259000

SCHEMBL11259000

CCC1CSC(CCn2ccnc2)(c2ccc(C(C)(C)C)cc2)SC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL11254408 0.89 KMT2A (0.46) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11273731 0.87 TP53 (0.41) TP53KDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL11255028 0.86 CYP19A1 (0.40) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL11273989 0.86 KMT2A (0.50) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11269325 0.85 KMT2A (0.45) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11266893 0.85 MEN1 (0.46) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL11257592 0.84 KMT2A (0.48) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11253700 0.83 KMT2A (0.43) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11257979 0.81 KMT2A (0.42) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL11250150 0.79 KMT2A (0.43) KMT2AMEN1POLBSMN1; SMN2HTT

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