SCHEMBL9031829

SCHEMBL9031829

O=C(O)c1ccc(/C=C/c2ccc(S(=O)(=O)Cc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYSLTR1 Q9Y271 10/20 0.47
CYSLTR2 Q9NS75 5/20 0.47
SLC16A3 O15427 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 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
SCHEMBL9031836 1.00 GPBAR1 (0.51) GPBAR1TSHRHSD17B10CYSLTR1CYSLTR2
SCHEMBL9828136 0.87 TSHR (0.55) GPBAR1TSHRHSD17B10CYSLTR1CYSLTR2
SCHEMBL7007534 0.81 GPBAR1 (0.67) GPBAR1CYSLTR1
SCHEMBL28246862 0.80 NPC1 (0.50) GPBAR1CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9030803 0.78 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9030812 0.78 GPBAR1 (0.50) GPBAR1CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9032817 0.77 GPBAR1 (0.52) GPBAR1CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9032810 0.77 GPBAR1 (0.52) GPBAR1CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9033055 0.77 GPBAR1 (0.85) GPBAR1CYSLTR1CYSLTR2
SCHEMBL9033119 0.77 GPBAR1 (0.85) GPBAR1CYSLTR1CYSLTR2

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-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP disclosed
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed