SCHEMBL9820193

SCHEMBL9820193

COc1ccc(Nc2cc[nH]n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
MAPT P10636 5/20 0.61
GAA P10253 4/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 4/20 0.57
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
LMNA P02545 1/20 0.50
NR4A1 P22736 1/20 0.48
DHFR P00374 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL18118028 0.81 HAO1 (0.55) RAB9AMAPTALDH1A1HTTNPC1
SCHEMBL9820118 0.77 TNIK (0.50) MAPTGAAALDH1A1HTTL3MBTL1
SCHEMBL13844997 0.77 MAPK10 (0.46) RAB9AMAPTALDH1A1NPC1MAPK1
SCHEMBL23794879 0.76 ROCK1 (0.47) RAB9AMAPTNPC1RECQLMEN1
SCHEMBL834683 0.76 MAPT (0.50) RAB9AMAPTGAAALDH1A1NPC1
SCHEMBL1272593 0.75
SCHEMBL1459772 0.75 MAPT (1.00) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL39057 0.75 MAPT (1.00) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL9820128 0.74 DHODH (0.60) RAB9AMAPTGAAALDH1A1HTT
SCHEMBL16881696 0.74 GRM4 (0.53) RAB9AMAPTGAANPC1HDAC6

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-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP claimed
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-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