SCHEMBL9038568

SCHEMBL9038568

Nc1ccc(Br)cc1-c1cc[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
IDO1 P14902 2/20 0.46
MAPT P10636 7/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
PDPK1 O15530 2/20 0.37
JAK2 O60674 2/20 0.37
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 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
SCHEMBL5368228 0.79 MAPT (0.48) IDO1MAPTMEN1KMT2AHTT
SCHEMBL14400038 0.79 IDO1 (0.58) IDO1KDM4EALDH1A1TSHRMAPK1
SCHEMBL9263103 0.79 ALDH1A1 (0.41) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL8252117 0.76 MGAM (0.47) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL29573133 0.73 GPR35 (0.53) GPR35IDO1MAPTMEN1KMT2A
SCHEMBL11518803 0.73 GPR35 (0.53) GPR35IDO1MAPTMEN1KMT2A
SCHEMBL1857660 0.73 IDO1 (0.53) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL25377636 0.72 S100A4 (0.42) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL30510054 0.72 S100A4 (0.42) IDO1MAPTMEN1KMT2AKDM4E
SCHEMBL31402956 0.71 CHEK1 (0.34) GPR35MAPTKDM4ECHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed