SCHEMBL7704094

SCHEMBL7704094

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 10/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
MTOR P42345 1/20 0.44
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL7701056 0.87 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL7699232 0.86 ALDH1A1 (0.47) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7696235 0.84 KMT2A (0.46) MAPTLMNAHTTSMN1; SMN2KMT2A
SCHEMBL7701939 0.84 HSP90AA1 (0.47) MAPTLMNAHTTSMN1; SMN2KMT2A
SCHEMBL7699243 0.79 TP53 (0.47) MAPTLMNAHTTSMN1; SMN2TSHR
SCHEMBL7695157 0.79 IKBKB (0.48) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL7704549 0.79 ALDH1A1 (0.39) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL7693910 0.78 NPC1 (0.45) HTTSMN1; SMN2KDM4EHSD17B10TRPV1
SCHEMBL7693979 0.78 IKBKB (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7697561 0.78 POLB (0.54) SMN1; SMN2KMT2AMEN1TSHRKDM4E

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