SCHEMBL6645559

SCHEMBL6645559

NN1Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
GAA P10253 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
OXTR P30559 1/20 0.33
HSD17B3 P37058 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9067264 0.78 MAOA (0.38) MAOAMAOBMEN1KMT2ASIGMAR1
SCHEMBL5530904 0.74 MAOA (0.41) MAOAMAOBGAAABCG2MEN1
SCHEMBL17185668 0.73 MAOA (0.39) MAOAMAOBDPP4DPP8DPP7
SCHEMBL7757699 0.73 MAOA (0.39) MAOAMAOBDPP4DPP8DPP7
SCHEMBL6414082 0.72 MAOA (0.35) MAOAMAOBDPP4DPP8DPP7
SCHEMBL6199231 0.70 NISCH (0.38) MAOAMAOBDPP4DPP8DPP7
SCHEMBL14833074 0.70 HSD17B3 (0.38) MAOAMAOBDPP4DPP8DPP7
SCHEMBL16229965 0.68 HSD17B3 (0.36) MAOAMAOBGAAMEN1KMT2A
SCHEMBL13583885 0.67 KDM4E (0.37) GAAMEN1KMT2AHSD17B3TSHR
SCHEMBL3454074 0.67 MAOA (0.43) MAOAMAOBGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825192-B1 Benzoxazolylisoindolenines DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-11-13 EP claimed
EP-0825192-A1 Benzoxazolylisoindolenines BAYER AG (DE) 1998-02-25 EP claimed
EP-1140862-A4 THROMBIN OR FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-07-28 EP disclosed
EP-0825192-B1 Benzoxazolylisoindolenines DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-11-13 EP disclosed
US-6403583-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-1140862-A1 THROMBIN OR FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039102-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
EP-0825192-A1 Benzoxazolylisoindolenines BAYER AG (DE) 1998-02-25 EP disclosed
EP-0163236-B1 BENZOXAZOLYL AND BENZOTHIAZOLYL AMINOACIDS, THEIR PREPARATION AND THEIR USE IN THE PRESERVATION OF PLANTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP disclosed
EP-0163236-A2 Benzoxazolyl and benzothiazolyl aminoacids, their preparation and their use in the preservation of plants HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-04 EP disclosed