SCHEMBL8314767

SCHEMBL8314767

CC(C)(Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1)C(=O)Nc1nnn[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 3/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
NR3C1 P04150 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
RET P07949 1/20 0.30

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
SCHEMBL8311016 0.81 CYP26B1 (0.42) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL8313990 0.80 KMT2A (0.41) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL8783040 0.77 RAB9A (0.38) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL8310276 0.74 CHRM2 (0.41) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL6599372 0.74
SCHEMBL8310165 0.73 FFAR1 (0.56) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL6597036 0.73 CNR1 (0.33)
SCHEMBL8311225 0.73 CYP26A1 (0.42) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL5800338 0.72 CYP26A1 (0.37) NPC1RAB9AKMT2ACYP26A1CYP26B1
SCHEMBL6599311 0.71 ALOX5 (0.48) NPC1RAB9AKMT2ACYP26A1CYP26B1

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-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed