SCHEMBL7701529

SCHEMBL7701529

CN(C)c1ccc(-c2oc(-c3ccccc3-c3ccccc3)nc2C(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
FAAH O00519 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
AURKA O14965 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL7696355 0.87 MAPT (0.46) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL7697933 0.83 POLB (0.50) POLBFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL7694290 0.82 TACR1 (0.51)
SCHEMBL7700372 0.82 HPGD (0.41) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7699427 0.80 HTT (0.49) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7697065 0.80 FAAH (0.52) POLBFAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL7700999 0.80 MAPT (0.48) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7694391 0.79 CNR1 (0.46) SMN1; SMN2MEN1KMT2AKDM4EHPGD
SCHEMBL7699884 0.78 HPGD (0.42) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7695429 0.78 ADORA2A (0.39) ALDH1A1MEN1KMT2AKDM4EHPGD

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