SCHEMBL9159934

SCHEMBL9159934

CCCCc1ccc(CCc2ccc(OCC)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 3/20 0.59
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 3/20 0.44
NFKB1 P19838 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
MCHR1 Q99705 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL10462495 0.96 MAPT (0.63) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10459733 0.95 MAPT (0.66) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10462420 0.95 MAPT (0.57) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10461702 0.94 MAPT (0.64) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10461182 0.94 MAPT (0.64) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10462751 0.94 MAPT (0.64) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10461361 0.94 MAPT (0.64) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10462239 0.94 MAPT (0.64) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10462727 0.92 MCHR1 (0.51) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL10461061 0.92 RAB9A (0.69) L3MBTL1MAPTRAB9ACASP3SENP8

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-0473208-B1 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0473208-A2 Liquid crystal compounds containing a pyrazine or pyridine ring MERCK PATENT GmbH (DE) 1992-03-04 EP disclosed
US-4913837-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed
WO-1987004158-A2 HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-07-16 WO disclosed