SCHEMBL6929249

SCHEMBL6929249

CCCN(C(=O)Nc1ccc(CC#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
EPHX2 P34913 3/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCHR1 Q99705 2/20 0.32
RORC P51449 3/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL3406691 0.92 KMT2A (0.37) KMT2AEPHX2UBE2MDCUN1D1MEN1
SCHEMBL3410353 0.88 KMT2A (0.35) KMT2AEPHX2UBE2MDCUN1D1MEN1
SCHEMBL3406660 0.87 KMT2A (0.34) KMT2AEPHX2MEN1ALDH1A1SMN1; SMN2
SCHEMBL3407264 0.86 KMT2A (0.39) KMT2AUBE2MDCUN1D1MEN1ALDH1A1
SCHEMBL3405770 0.84 KMT2A (0.37) KMT2AUBE2MDCUN1D1MEN1ALDH1A1
SCHEMBL3403716 0.82 MLYCD (0.32) KMT2A
SCHEMBL3410575 0.81 POLB (0.37) KMT2AEPHX2MEN1ALDH1A1SMN1; SMN2
SCHEMBL3407755 0.79 GPR119 (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3405278 0.77 SMN1; SMN2 (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3404273 0.77 KMT2A (0.35) KMT2AMEN1

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-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed