SCHEMBL8790433

SCHEMBL8790433

COC(=O)C(CCSC)NC(=O)c1nccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
APOBEC3G Q9HC16 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
HTT P42858 1/20 0.46
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7848067 1.00 KMT2A (0.60) KMT2AAPOBEC3GL3MBTL1CNR1CNR2
SCHEMBL7837437 0.89 KMT2A (0.51) KMT2AFNTAFNTBUSP2RAB9A
SCHEMBL7837444 0.89 KMT2A (0.51) KMT2AFNTAFNTBUSP2RAB9A
Trifluoroacetic Acid SCHEMBL8613841 0.84 MEN1 (0.47) KMT2AFNTAFNTBRAB9A
Trifluoroacetic Acid SCHEMBL8613845 0.84 MEN1 (0.47) KMT2AFNTAFNTBRAB9A
SCHEMBL24898028 0.76 RAB9A (0.55) KMT2ACNR2RAB9A
SCHEMBL13018869 0.76 RAB9A (0.43) KMT2ACNR2RAB9A
SCHEMBL2323686 0.76 L3MBTL1 (0.74) KMT2AAPOBEC3GL3MBTL1TAS1R3TAS1R1
SCHEMBL18095164 0.76 L3MBTL1 (0.74) KMT2AAPOBEC3GL3MBTL1TAS1R3TAS1R1
SCHEMBL7837441 0.74 CNR2 (0.39) KMT2AAPOBEC3GCNR2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755383-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1997-08-27 EP disclosed
EP-0755383-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed