SCHEMBL6565647

SCHEMBL6565647

CCCCOc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.47
PLA2G4B P0C869 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
POLB P06746 1/20 0.44
PTPN11 Q06124 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
SCHEMBL30686032 0.88 MAPT (0.47) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL28528923 0.88 MAPT (0.47) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL8381314 0.87 MAPT (0.56) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL10681005 0.86 MAPT (0.58) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL4255397 0.85 TDP1 (0.55) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL14218373 0.84 MAPT (0.52) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL8628560 0.84 PTPN11 (0.60) MAPTPLA2G4BAKR1C3AKR1C2AKR1C1
SCHEMBL2155062 0.82 MAPT (0.63) MAPTLMNAKMT2AALDH1A1PLA2G4B
SCHEMBL8630905 0.82 MAPT (0.50) MAPTLMNAKMT2AMAPK1ALDH1A1
SCHEMBL4946199 0.81 AKR1C3 (0.51) MAPTLMNAMAPK1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed