SCHEMBL9022276

SCHEMBL9022276

O=C(O)c1cccn1Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.46
EPHX2 P34913 6/20 0.46
CYP1A2 P05177 1/20 0.45
PPARA Q07869 2/20 0.44
FAAH O00519 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CNR1 P21554 1/20 0.43
CCR2 P41597 2/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.43
ACHE P22303 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
SCHEMBL7178064 0.84 CNR2 (0.45) CNR2KDM4EKMT2ACYP1A2FAAH
SCHEMBL1607395 0.82 CNR2 (0.57) CNR2KDM4EEPHX2CA12CA1
SCHEMBL4433121 0.81 BRD4 (0.52) CNR2KDM4EKMT2ACNR1MEN1
SCHEMBL9022567 0.80 CNR2 (0.57) CNR2KDM4EEPHX2PPARAFAAH
SCHEMBL9022279 0.79 KMT2A (0.45) KMT2ACYP1A2FAAHCYP19A1MEN1
SCHEMBL7372692 0.78 CYP19A1 (0.47) KMT2ACYP1A2FAAHCCR2CYP19A1
SCHEMBL8942396 0.78 VEGFA (0.57) CNR2KDM4EKMT2AEPHX2PPARA
SCHEMBL1606703 0.78 CA12 (0.67) CNR2KDM4EEPHX2PPARACA12
SCHEMBL24434754 0.76 EPHX2 (0.51) CNR2KDM4EEPHX2PPARACA12
SCHEMBL12926197 0.76 KDM4E (0.54) KDM4EEPHX2PPARA

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-0381141-B1 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL DOW PHARMA (US) 1996-03-20 EP claimed
EP-0381141-B1 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL DOW PHARMA (US) 1996-03-20 EP disclosed
CN-1022754-C Novel aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds preparation method MERRELL DOW PHARMA (US) 1993-11-17 CN disclosed
US-5041554-A Replace steroids in treatment of inflammatory diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
US-5039695-A Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
CN-1044653-A The new aryl or the heteroaryl-I-alkyl-pyrroles-2-carboxylic acid that are used for the treatment of the pathological state of interleukin-I mediation MERRELL DOW PHARMA (US) 1990-08-15 CN disclosed
EP-0381141-A2 Novel aryl- or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds useful in treating interleukin-1 mediated conditions MERRELL PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed
EP-0381142-A2 Method of using aryl-or heteroaryl-1-alkyl-pyrrole-2-carboxylic acid compounds in the treatment of interleukin-1 mediated conditions MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed