SCHEMBL8317005

SCHEMBL8317005

COc1ccc(C=Cc2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 3/20 0.38
ESR1 P03372 2/20 0.37
ABL1 P00519 1/20 0.37
TTR P02766 1/20 0.37
CYP1A1 P04798 1/20 0.37

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
SCHEMBL8317001 1.00 KDM4E (0.42) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8317162 0.93 SMN1; SMN2 (0.38) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8317159 0.93 SMN1; SMN2 (0.38) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8315262 0.88 PARP1 (0.46) KDM4ERAB9ANPC1CYP1A2MAPT
SCHEMBL8316802 0.87 ALDH1A3 (0.35) KDM4EMAPTPOLB
SCHEMBL8316803 0.87 ALDH1A3 (0.35) KDM4EMAPTPOLB
SCHEMBL8316305 0.87 MAPT (0.42) RAB9ANPC1SMN1; SMN2LMNARELA
SCHEMBL8316303 0.87 MAPT (0.42) RAB9ANPC1SMN1; SMN2LMNARELA
SCHEMBL8316004 0.86 FGF23 (0.36) KDM4ERAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8316008 0.86 FGF23 (0.36) KDM4ERAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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