SCHEMBL8313756

SCHEMBL8313756

Clc1ccc(C=Cc2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KAT8 Q9H7Z6 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AHR P35869 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL8313753 1.00 KDM4E (0.34) KDM4ENPC1RAB9AKAT8MAPT
SCHEMBL8316004 0.87 FGF23 (0.36) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL8316008 0.87 FGF23 (0.36) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL8310781 0.86 RAB9A (0.38) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL8310785 0.86 RAB9A (0.38) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL8315650 0.86 LMNA (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL8315652 0.86 LMNA (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL8315608 0.86 CHAT (0.36) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8315610 0.86 CHAT (0.36) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL8317001 0.84 KDM4E (0.42) KDM4ENPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3047188-A None JP disclosed
JP-3206042-A None JP disclosed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
JP-H03206042-A HYPOTENSOR TAKEDA CHEM IND LTD 1991-09-09 JP disclosed
JP-H0347188-A THIAZOLO(5,4-B)AZEPINE DERIVATIVE TAKEDA CHEM IND LTD 1991-02-28 JP disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed