SCHEMBL9820128

SCHEMBL9820128

COc1ccc(Nc2cc(C)[nH]n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.60
AURKA O14965 5/20 0.57
RAB9A P51151 6/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AURKB Q96GD4 3/20 0.50
GSK3B P49841 2/20 0.50
PLK4 O00444 1/20 0.50

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
SCHEMBL13663575 0.89 AURKA (0.54) DHODHAURKARAB9AMAPTGAA
SCHEMBL15610217 0.82 RAB9A (0.54) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL10417206 0.82 AURKA (0.56) DHODHAURKARAB9AMAPTMEN1
SCHEMBL4815907 0.79 DHODH (0.64) DHODHAURKARAB9AMAPTGAA
SCHEMBL9820151 0.79 MEN1 (0.65) DHODHAURKARAB9AMAPTGAA
Hydrochloric Acid SCHEMBL4808013 0.78 DHODH (0.62) DHODHAURKARAB9AMAPTGAA
SCHEMBL2318075 0.77 TNIK (0.51) AURKARAB9AGAAHTTMEN1
SCHEMBL14293657 0.75 DHODH (0.59) DHODHAURKARAB9AMAPTGAA
SCHEMBL13663485 0.75 AURKA (0.58) AURKARAB9AMAPTGAAALDH1A1
SCHEMBL4159207 0.75 CCNT1 (0.48) AURKAAURKBGSK3BPLK4TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP claimed
EP-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP disclosed
US-4810719-A Anti-inflammator 1,n-diarylpyrazol-3-amines FISONS PLC (GB) 1989-03-07 US disclosed
US-4803216-A Pyrazole-3-amines as anti-inflammatory agents FISONS PLC (GB) 1989-02-07 US disclosed
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP disclosed
EP-0178035-A1 Anti-inflammatory 1,N-diarylpyrazol-3-amines, compositions containing them and processes for their preparation FISONS plc (GB) 1986-04-16 EP disclosed