SCHEMBL8549796

SCHEMBL8549796

Cn1ncc(Br)c(CBr)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
KAT2B Q92831 4/20 0.37
BRD9 Q9H8M2 4/20 0.37
BPTF Q12830 3/20 0.35
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BRD4 O60885 2/20 0.33
TRPC5 Q9UL62 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8544525 0.83 SMN1; SMN2 (0.40) MTORMAPTNPC1ALDH1A1RAB9A
SCHEMBL8544138 0.79 BPTF (0.45) MAPTALDH1A1RAB9ASMN1; SMN2KAT2B
SCHEMBL4292263 0.75 NPC1 (0.50) MTORMAPTNPC1ALDH1A1RAB9A
SCHEMBL4282771 0.75 KAT2B (0.33) MTORMAPTKAT2BBRD9BPTF
SCHEMBL8545709 0.74 BRD9 (0.42) MTORMAPTNPC1ALDH1A1RAB9A
SCHEMBL17912364 0.72 KAT2B (0.56) MAPTALDH1A1RAB9AKAT2BBRD9
SCHEMBL21383748 0.71
SCHEMBL14844575 0.71 NPBWR1 (0.43) MTORMAPTNPC1ALDH1A1RAB9A
SCHEMBL4292123 0.70 MAPT (0.36) MAPTALDH1A1BRD9BRD4MEN1
SCHEMBL23318253 0.68 KAT2B (0.43) MTORMAPTNPC1ALDH1A1RAB9A

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-0717734-B1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 1998-11-18 EP disclosed
US-5763439-A POTENTIATION ISHIHARA SANGYO KAISHA LTD. (JP) 1998-06-09 US disclosed
EP-0717734-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-06-26 EP disclosed
WO-1995007264-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-16 WO disclosed