SCHEMBL6209375

SCHEMBL6209375

COc1ccc(C(Br)(C=O)c2ccc(OC)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
LIPE Q05469 1/20 0.40
NNMT P40261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRK1 P41145 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL10952238 0.77 RAB9A (0.46) ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL10958010 0.77 CYP1A2 (0.50) LMNAALDH1A1CYP2A6SMN1; SMN2RAB9A
Bromide SCHEMBL6282386 0.76 RAB9A (0.45) ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL3229246 0.75 NFE2L2 (0.53) MAPTALDH1A1CYP2A6SMN1; SMN2MAPK1
SCHEMBL1694647 0.72 BACE1 (0.51) LMNAALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL3816388 0.71 NNMT (0.48) MAPTLMNANNMTALDH1A1CYP2A6
SCHEMBL29525223 0.71 NNMT (0.48) MAPTLMNANNMTALDH1A1CYP2A6
SCHEMBL77481 0.70 KDM4E (0.47) MAPTNNMTCYP2A6SMN1; SMN2RAB9A
SCHEMBL22079377 0.70 NNMT (0.48) MAPTLMNANNMTALDH1A1CYP2A6
SCHEMBL13009068 0.69 RAB9A (0.64) MAPTLMNALIPEALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed