SCHEMBL4633862

SCHEMBL4633862

CC(C)Oc1cccc(C(=O)CC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KAT6A Q92794 2/20 0.45
ALOX12 P18054 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL2090080 0.84 SMN1; SMN2 (0.50) KMT2AMEN1HTTGAASMN1; SMN2
SCHEMBL139190 0.84 CES2 (0.66) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL30512074 0.84 CES2 (0.66) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL1856596 0.84 KMT2A (0.56) KMT2AHTTSMN1; SMN2LMNANPC1
SCHEMBL1416792 0.82 KMT2A (0.55) KMT2AMEN1HTTGAARXRA
SCHEMBL27916078 0.82 KMT2A (0.55) KMT2AMEN1HTTGAARXRA
SCHEMBL4635216 0.81 HSD17B10 (0.62) KMT2AMEN1HTTRXRARXRB
SCHEMBL397191 0.81 GSK3B (0.50) KMT2AMEN1GAASMN1; SMN2CES2
SCHEMBL14518786 0.81 KMT2A (0.54) KMT2AMEN1HTTGAARXRA
SCHEMBL637341 0.81 KMT2A (0.54) KMT2AMEN1HTTGAARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed