SCHEMBL7701281

SCHEMBL7701281

Cc1ccc(NC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HDAC4 P56524 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
DGAT1 O75907 4/20 0.47
MCHR1 Q99705 3/20 0.44
KDM4E B2RXH2 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IKBKB O14920 2/20 0.42
GAA P10253 1/20 0.42
AHR P35869 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7697491 0.92 HDAC4 (0.49) MAPTHDAC4RXFP1DGAT1MCHR1
SCHEMBL7702798 0.91 MAPT (0.50) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7701100 0.85 DGAT1 (0.51) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7696235 0.84 KMT2A (0.46) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7695533 0.83 ADCY8 (0.47) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7693843 0.82 TRPV1 (0.47) MAPTHDAC4RXFP1DGAT1ALDH1A1
SCHEMBL7695161 0.82 IKBKB (0.50) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7699835 0.81 IKBKB (0.42) MAPTHDAC4RXFP1DGAT1KDM4E
SCHEMBL7699301 0.81 MAPT (0.53) MAPTHDAC4RXFP1KDM4EALDH1A1
SCHEMBL7699148 0.80 MAPT (0.48) MAPTRXFP1DGAT1KDM4EALDH1A1

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed