SCHEMBL7287642

SCHEMBL7287642

O=C(CCC1OCCO1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 1/20 0.53
GSK3B P49841 2/20 0.48
HRH3 Q9Y5N1 6/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
DRD2 P14416 1/20 0.42
MMP1 P03956 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL21747244 0.93 KMT2A (0.50) KMT2AMAPTALDH1A1GSK3BHRH3
SCHEMBL7284408 0.83 NPC1 (0.54) KMT2AMAPTALDH1A1GSK3BMEN1
SCHEMBL7210582 0.83 NPC1 (0.56) KMT2AHRH3MEN1NPC1RAB9A
SCHEMBL3392114 0.83 KMT2A (0.51) KMT2AMAPTALDH1A1GSK3BMEN1
SCHEMBL7287661 0.82 MAPT (0.52) KMT2AMAPTALDH1A1MEN1NPC1
SCHEMBL11680952 0.82 GSK3B (0.52) KMT2AMAPTALDH1A1GSK3BHRH3
SCHEMBL7285554 0.82 KMO (0.45) KMT2AALDH1A1MEN1HSD11B1L3MBTL1
SCHEMBL7285961 0.81 ERCC5 (0.49) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL27427396 0.79 GSK3B (0.51) MAPTALDH1A1GSK3BNPC1RAB9A
SCHEMBL7275966 0.79 MMP1 (0.53) KMT2AMAPTALDH1A1GSK3BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-5817691-A Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed
CN-1030986-C Pyrrolopyrazine HOFFMANN LA ROCHE (CH) 1996-02-14 CN disclosed
US-5292732-A Pyrrolopyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
CN-1068328-A PYRROLOPYRAZINE HOFFMANN LA ROCHE (CH) 1993-01-27 CN disclosed
EP-0521368-A1 Bi- and tetracyclic pyrrolopyrazines F. HOFFMANN-LA ROCHE AG (CH) 1993-01-07 EP disclosed