SCHEMBL7702693

SCHEMBL7702693

CCN(C(=O)c1nc(-c2ccccc2)oc1-c1ccc(N(C)C)cc1)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
TARBP2 Q15633 2/20 0.35
MAPT P10636 6/20 0.34
MEN1 O00255 4/20 0.34
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL7700374 0.93 ALDH1A1 (0.32) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7704553 0.87 IKBKB (0.34) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7702691 0.74 HPGD (0.43) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7696153 0.73 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7699801 0.73 ALDH1A1 (0.51) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7700999 0.71 MAPT (0.48) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29158580 0.71 ALDH1A1 (0.69) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7701068 0.71 ALDH1A1 (0.69) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7701500 0.70 GPBAR1 (0.47) KMT2AALDH1A1KDM4EHSD17B10HPGD
SCHEMBL7700372 0.68 HPGD (0.41) KMT2AALDH1A1KDM4EHSD17B10HPGD

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