SCHEMBL7702798

SCHEMBL7702798

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RXFP1 Q9HBX9 3/20 0.50
IKBKB O14920 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC4 P56524 1/20 0.43
GAA P10253 2/20 0.43
DGAT1 O75907 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL7701281 0.91 MAPT (0.49) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7697491 0.91 HDAC4 (0.49) MAPTRXFP1IKBKBHDAC4DGAT1
SCHEMBL7699301 0.90 MAPT (0.53) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7699046 0.83 POLB (0.45) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7701056 0.82 MAPT (0.47) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7693990 0.81 IKBKB (0.53) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7699232 0.81 ALDH1A1 (0.47) MAPTRXFP1IKBKBKDM4EALDH1A1
SCHEMBL7699148 0.81 MAPT (0.48) MAPTRXFP1KDM4EALDH1A1GAA
SCHEMBL7699732 0.81 RAB9A (0.53) MAPTRXFP1IKBKBALDH1A1HPGD
SCHEMBL7697947 0.81 KMT2A (0.47) MAPTRXFP1IKBKBKDM4EALDH1A1

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