SCHEMBL382142

SCHEMBL382142

NCC(N)(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
HIF1A Q16665 1/20 0.44
HSD11B1 P28845 4/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CA5A P35218 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 1/20 0.39
HTR6 P50406 3/20 0.38
LOX P28300 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL7651608 1.00 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AHSD11B1CA1CA2
Hydrochloric Acid SCHEMBL382912 0.98 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AHSD11B1CA1CA2
SCHEMBL27770239 0.85 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AHSD11B1CA1CA2
SCHEMBL7372099 0.84 NPC1 (0.45) CA1CA2CA9CA12CA5A
SCHEMBL7372959 0.84 ALDH1A1 (0.45) CA1CA2CA9CA12CA5A
SCHEMBL9094518 0.84 CA2 (0.41) HSD11B1CA1CA2CA9CA12
SCHEMBL27560670 0.84 PSIP1 (0.44) SMN1; SMN2HIF1AHSD11B1CA1CA2
SCHEMBL7376118 0.82 KAT6A (0.43) KMT2A
SCHEMBL8619624 0.82 KIF11 (0.44) HSD11B1CA1CA2CA9CA12
SCHEMBL17541382 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HIF1AHSD11B1CA1CA2

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-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP claimed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO claimed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
EP-1135374-B9 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2007-02-21 EP disclosed
EP-1135374-B1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORP (US) 2006-09-06 EP disclosed
EP-1135374-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-09-26 EP disclosed
US-6204282-B1 TREATING CANCER, RETINOPATHY, ATHEROSCLEROSIS, VASCULAR RESTENOSIS, OR OSTEOPOROSIS. SCHERING CORPORATION 2001-03-20 US disclosed
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-2000032578-A1 BENZIMIDAZOLE COMPOUNDS THAT ARE VITRONECTIN RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-06-08 WO disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed