SCHEMBL11270929

SCHEMBL11270929

Fc1ccc(-c2nc[nH]c2-c2cccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.59
MAPK13 O15264 1/20 0.59
RAF1 P04049 1/20 0.59
MAPK9 P45984 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59
MAPT P10636 7/20 0.56
KDM4E B2RXH2 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47

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
SCHEMBL29581148 0.86 MAPT (0.62) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL11506484 0.85 MAPT (0.45) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6453590 0.82 MAPT (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10992179 0.78 MAPK14 (0.83) MAPK14MAPK13RAF1MAPK9MAPK12
Hydrochloric Acid SCHEMBL30023185 0.77 MAPK14 (0.80) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL6423292 0.74 MAPK14 (1.00) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL4434902 0.74 MAPK14 (1.00) MAPK14MAPK13RAF1MAPK9MAPK12
SCHEMBL11506564 0.74 MAPT (0.64) MAPK14MAPTKDM4EMEN1KMT2A
SCHEMBL10831183 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL10955026 0.73 KDM4E (0.62) MAPK14MAPK13RAF1MAPK9MAPK12

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-0008755-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-NITROIMIDAZOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-21 EP disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed
US-4159338-A ANTIARTHRITIC, ANALGESIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-06-26 US disclosed