SCHEMBL8570449

SCHEMBL8570449

Nc1ccc(Cl)nc1-n1cccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
IDO1 P14902 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL8564261 0.72 KDM4E (0.34) POLBKDM4EGAAMAPTALDH1A1
SCHEMBL8563505 0.69 TDP1 (0.52) POLBGAAMAPTALDH1A1L3MBTL1
SCHEMBL8570392 0.67 KDM4E (0.45) KDM4EGAAMAPTALDH1A1MEN1
SCHEMBL29424874 0.66
SCHEMBL1165736 0.66
SCHEMBL923508 0.66
SCHEMBL29505195 0.66
SCHEMBL22121151 0.66 FFAR2 (0.34) KDM4EALDH1A1MEN1KMT2ASIRT2
SCHEMBL31359480 0.65 SMPD3 (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL26602271 0.65 SMPD3 (0.43) KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623620-B1 5-HT3 Pyrrolopyrazine derivatives ADIR (FR) 1998-09-09 EP disclosed
US-5599812-A ANTISEROTONINE AGENTS ADIR ET COMPAGNIE (FR) 1997-02-04 US disclosed
EP-0623620-A1 5-HT3 Pyrrolopyrazine derivatives ADIR ET COMPAGNIE (FR) 1994-11-09 EP disclosed