SCHEMBL8316004

SCHEMBL8316004

Cc1ccc(/C=C/c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 2/20 0.36
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
NISCH Q9Y2I1 2/20 0.33
TP53 P04637 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RAB9A P51151 6/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
NPC1 O15118 4/20 0.32
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR2F2 P24468 1/20 0.31
ATM Q13315 1/20 0.31
RELA Q04206 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
SCHEMBL8316008 1.00 FGF23 (0.36) FGF23LMNAMAPTNISCHTP53
SCHEMBL8313756 0.87 KDM4E (0.34) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8313753 0.87 KDM4E (0.34) LMNAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8310781 0.86 RAB9A (0.38) FGF23LMNAMAPTNISCHTP53
SCHEMBL8310785 0.86 RAB9A (0.38) FGF23LMNAMAPTNISCHTP53
SCHEMBL8316359 0.86 MAPT (0.47) LMNAMAPTTP53RAB9ASMN1; SMN2
SCHEMBL8317056 0.86 TUBB1 (0.33) LMNAMAPTRAB9ANPC1POLB
SCHEMBL9306409 0.86 CYP1A1 (0.35) LMNAMAPTNISCHRAB9ASMN1; SMN2
SCHEMBL9306414 0.86 CYP1A1 (0.35) LMNAMAPTNISCHRAB9ASMN1; SMN2
SCHEMBL8316372 0.86 MAPT (0.47) LMNAMAPTTP53RAB9ASMN1; SMN2

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-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