SCHEMBL7380400

SCHEMBL7380400

CCCCNC(=N)c1ccc(C2=NOC(C(=O)N3CCC(C(=O)C(=O)O)CC3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
CASP1 P29466 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
ITGB2 P05107 1/20 0.38
ITGAM P11215 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
SCHEMBL7379113 0.95 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7373145 0.91 RAB9A (0.51) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7668331 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7378820 0.87 MAPT (0.45) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL7670357 0.86 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7528476 0.85 MAPT (0.44) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL7381323 0.85 LMNA (0.48) RAB9ANPC1SMN1; SMN2CASP1L3MBTL1
SCHEMBL7371099 0.82 ITGB3 (0.55) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7375423 0.81 RAB9A (0.48) RAB9ANPC1SMN1; SMN2CASP1ATM
SCHEMBL7667816 0.80 RAB9A (0.47) RAB9ANPC1SMN1; SMN2CASP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP claimed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 WO claimed
EP-1131320-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-09-12 EP disclosed
WO-2000029407-A1 ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-05-25 WO disclosed