SCHEMBL9753566

SCHEMBL9753566

O=C(CO)c1cccc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GRM4 Q14833 1/20 0.36
HNF4A P41235 1/20 0.36
PRNP P04156 1/20 0.36
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
PTPN1 P18031 3/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL11847877 0.85 HNF4A (0.42) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
SCHEMBL29322296 0.84 PTPN1 (0.52) MAOBAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27673463 0.82 F2R (0.45) MAOBALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1878649 0.79 TERT (0.52) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
SCHEMBL4837018 0.78 PRNP (0.54) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL9673834 0.78 KMT2A (0.41) MAOBALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL8436637 0.78 HNF4A (0.55) ALDH1A1HPGDHSD17B10SMN1; SMN2MEN1
SCHEMBL438501 0.77 ALDH1A1 (0.57) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL30892252 0.77 ALDH1A1 (0.57) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL24754424 0.77 KMT2A (0.43) ALDH1A1HPGDHSD17B10MEN1KMT2A

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-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed