SCHEMBL6603070

SCHEMBL6603070

COC(=O)C(C)(C)c1cn(Cc2ccc3oc(-c4nc(C(C)(C)C)cs4)cc3c2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
AHR P35869 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PLA2G2A P14555 1/20 0.33
MAOB P27338 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6598958 0.91 ALDH1A1 (0.37) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL7473185 0.88 SMN1; SMN2 (0.44) ALDH1A1HSD17B10POLBPKMKMT2A
SCHEMBL5813234 0.84 HPGD (0.36) ALDH1A1HSD17B10PKMKMT2AMEN1
SCHEMBL6598493 0.84 ALDH1A1 (0.46) ALDH1A1HSD17B10POLBCHRNB2CHRNA7
SCHEMBL5813890 0.82 PPARG (0.38) PLA2G2AMAOB
SCHEMBL5811087 0.80 THRA (0.40) ALDH1A1KMT2ANPC1HPGDPLA2G2A
SCHEMBL5813886 0.80 THRA (0.38) POLBKMT2AMEN1PLA2G2ALMNA
SCHEMBL6599665 0.80 PLA2G2A (0.39) ALDH1A1KMT2APLA2G2ACYP26A1CYP26B1
SCHEMBL5807179 0.79 KMT2A (0.33) ALDH1A1PKMKMT2APLA2G2AMAOB
SCHEMBL6601187 0.78 PLA2G2A (0.49) ALDH1A1KMT2APLA2G2ACYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed