SCHEMBL7895255

SCHEMBL7895255

CCCCCc1cc(N)cc(CCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.56
CYP3A4 P08684 2/20 0.56
GPR84 Q9NQS5 3/20 0.53
HTR2A P28223 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SKP2 Q13309 1/20 0.44
ESR1 P03372 2/20 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
SCHEMBL15804002 0.98 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL9170666 0.98 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL9168375 0.98 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL28579097 0.95 PTGS2 (0.56) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL840688 0.94 PTGS2 (0.50) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL19829356 0.93 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL19513925 0.93 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL10492707 0.93 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL9118087 0.93 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1
SCHEMBL6681772 0.93 PTGS2 (0.57) PTGS2CYP3A4GPR84HTR2ACA1

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-0642680-B1 PHOTOCONDUCTIVE RECORDING MATERIAL COMPRISING A CROSSLINKED BINDER SYSTEM XEIKON NV (BE) 2001-07-04 EP disclosed
US-5786118-A METHYLENE CHLORIDE CROSSLINKER; INSOLUBILITY AGFA-GEVAERT, N.V. (BE) 1998-07-28 US disclosed
EP-0642679-B1 PHOTOCONDUCTIVE RECORDING MATERIAL CONTAINING CROSSLINKED BINDER SYSTEM AGFA GEVAERT NV (BE) 1997-11-19 EP disclosed
US-5506081-A CHARGE GENERATING LAYER CONTAINS NO CHARGE TRANSPORTING MATERIAL BUT COMPRISES A CHARGE GENERATING MATERIAL AND A BINDER MADE INSOLUBLE IN METHYLENE CHLORIDE BY CROSSLINKING AGFA-GEVAERT, N.V. (BE) 1996-04-09 US disclosed
EP-0642680-A1 PHOTOCONDUCTIVE RECORDING MATERIAL COMPRISING A CROSSLINKED BINDER SYSTEM AGFA-GEVAERT N.V. (BE) 1995-03-15 EP disclosed
EP-0642679-A1 PHOTOCONDUCTIVE RECORDING MATERIAL CONTAINING CROSSLINKED BINDER SYSTEM AGFA-GEVAERT N.V. (BE) 1995-03-15 EP disclosed
WO-1993025939-A1 PHOTOCONDUCTIVE RECORDING MATERIAL CONTAINING CROSSLINKED BINDER SYSTEM AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1993-12-23 WO disclosed
WO-1993024863-A1 PHOTOCONDUCTIVE RECORDING MATERIAL COMPRISING A CROSSLINKED BINDER SYSTEM AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1993-12-09 WO disclosed