SCHEMBL6160883

SCHEMBL6160883

O=C(O)c1cc2cc(Cl)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
GPR35 Q9HC97 1/20 0.50
EGLN1 Q9GZT9 1/20 0.46
FBP1 P09467 1/20 0.44
SMAD3 P84022 1/20 0.44
RHEB Q15382 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PIN1 Q13526 1/20 0.43
GRIN1 Q05586 1/20 0.43
PDPK1 O15530 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18332181 0.82 APEX1 (0.51) APEX1F7F3GPR35FBP1
SCHEMBL3641952 0.80 GPR35 (0.63) APEX1F7F3GPR35SMAD3
SCHEMBL8622921 0.79 GPR35 (0.61) APEX1F7F3GPR35SMAD3
SCHEMBL19332155 0.76 GPR35 (0.73) APEX1F7F3GPR35SMAD3
SCHEMBL27247482 0.75 SMN1; SMN2 (0.48) EGLN1HPGDALDH1A1LMNAMAPT
SCHEMBL741404 0.74 EIF4A3 (0.56) APEX1F7F3GPR35SMAD3
SCHEMBL22747199 0.74 GPR35 (0.56) APEX1F7F3GPR35SMAD3
SCHEMBL1776522 0.74 APEX1 (0.51) APEX1F7F3GPR35FBP1
SCHEMBL1277932 0.73 APEX1 (0.62) APEX1F7F3FBP1
SCHEMBL1156515 0.72 HRH4 (0.60) APEX1F7F3GPR35SMAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP claimed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed