SCHEMBL8554495

SCHEMBL8554495

O=C(CBr)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GPR35 Q9HC97 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACP1 P24666 1/20 0.40

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
SCHEMBL9825041 0.85 ALDH1A1 (0.48) ALDH1A1GPR35MAPTKMT2AMEN1
SCHEMBL16234805 0.80 MEN1 (0.54) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL6213726 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL7520916 0.78 KMT2A (0.55) ALDH1A1GPR35MAPTKMT2AMEN1
SCHEMBL9869407 0.74 ADRA2A (0.44) ALDH1A1GPR35MAPTKMT2AMEN1
SCHEMBL7801883 0.74 NPC1 (0.53) ALDH1A1MAPTRAB9A
SCHEMBL11879315 0.73 ALDH1A1 (0.52) ALDH1A1GPR35MAPTKMT2AMEN1
SCHEMBL27501452 0.73 ALDH1A1 (0.52) ALDH1A1GPR35MAPTKMT2AMEN1
SCHEMBL10913204 0.73 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10913206 0.73 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1MAPK1

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-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
CN-1085216-A Have the diphenyl-oxazole, thiazole and the imdazole derivatives that suppress the adenosine resorption BRISTOL MYERS SQUIBB CO (US) 1994-04-13 CN disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP disclosed