SCHEMBL6562002

SCHEMBL6562002

Cc1nc2ccccc2n1Cc1cccc(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.74
NR2F2 P24468 3/20 0.74
TNF P01375 1/20 0.72
MAPT P10636 5/20 0.62
TP53 P04637 4/20 0.62
RAB9A P51151 2/20 0.62
HTT P42858 1/20 0.62
LMNA P02545 2/20 0.56
CFTR P13569 1/20 0.56
NPC1 O15118 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL9431694 0.87 TNF (0.70) GALR3NR2F2TNFMAPTTP53
SCHEMBL9431028 0.87 TNF (0.74) GALR3NR2F2TNFMAPTTP53
SCHEMBL15014103 0.85 TNF (0.72) GALR3NR2F2TNFMAPTTP53
SCHEMBL12771519 0.85 GALR3 (1.00) GALR3NR2F2TNFMAPTTP53
SCHEMBL28227656 0.85 MAPT (0.77) GALR3NR2F2TNFMAPTTP53
SCHEMBL231295 0.84 TNF (1.00) GALR3NR2F2TNFMAPTTP53
SCHEMBL3100051 0.84 TNF (0.70) GALR3NR2F2TNFMAPTTP53
SCHEMBL3092835 0.84 TNF (0.75) GALR3NR2F2TNFMAPTTP53
SCHEMBL15567678 0.84 TNF (0.70) GALR3NR2F2TNFMAPTTP53
SCHEMBL13181091 0.83 TNF (0.68) GALR3NR2F2TNFMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed