SCHEMBL6028429

SCHEMBL6028429

NC(=O)N(S)Cc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
UBE2T Q9NPD8 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
MAPT P10636 5/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 2/20 0.47
ALOX5 P09917 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PIN1 Q13526 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL13936940 0.77 UBE2T (0.53) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL77032 0.76 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL371155 0.76 UBE2T (0.63) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL11207950 0.75 UBE2T (0.54) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL5212645 0.74 HPGD (0.68) KMT2AMEN1HPGDALDH1A1UBE2T
SCHEMBL1248387 0.73 MAPT (0.58) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL5201727 0.73 HTT (0.78) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL27412092 0.73 HPGD (0.59) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL20511910 0.73 CYP1A2 (0.73) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL14266782 0.73 UBE2T (0.59) KMT2AMEN1HPGDALDH1A1CYP1A2

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-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 WO disclosed