SCHEMBL6599028

SCHEMBL6599028

CC(=O)NNc1ccc(C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
ALOX5 P09917 1/20 0.59
TSHR P16473 1/20 0.59
GAA P10253 5/20 0.58
ALDH1A1 P00352 4/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
AGTR1 P30556 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
KIF11 P52732 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL104524 0.79 SMN1; SMN2 (0.61) CYP3A4TSHRALDH1A1POLBRAB9A
SCHEMBL2384404 0.79 CYP3A4 (0.63) CYP3A4ALOX5TSHRGAAALDH1A1
SCHEMBL8861401 0.79 TSHR (0.63) CYP3A4ALOX5TSHRGAAALDH1A1
SCHEMBL10942888 0.79 CYP3A4 (0.68) CYP3A4ALOX5TSHRGAAALDH1A1
SCHEMBL28833363 0.78 ALDH1A1 (0.48) GAAALDH1A1POLBRAB9AMAPT
SCHEMBL5458894 0.77 KIF11 (0.54) GAAALDH1A1POLBRAB9AMAPT
SCHEMBL8743016 0.77 KMT2A (0.68) CYP3A4ALOX5TSHRGAAALDH1A1
SCHEMBL424604 0.77 CYP3A4 (0.65) CYP3A4ALOX5TSHRGAAALDH1A1
SCHEMBL31606831 0.75 GAA (0.50) GAAALDH1A1POLBRAB9AMAPT
SCHEMBL1337003 0.75 CYP3A4 (0.63) CYP3A4ALOX5TSHRGAAALDH1A1

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 7 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-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 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
CN-1209809-A Noval chemical compound FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-03 CN disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO disclosed