SCHEMBL8712449

SCHEMBL8712449

N=C(N)c1cnc2oc(C(=O)N[C@H]3CC[C@H](OCC(=O)O)CC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
F2 P00734 7/20 0.40
ST14 Q9Y5Y6 7/20 0.40
PRSS1 P07477 5/20 0.40
PRSS2 P07478 5/20 0.40
PRSS3 P35030 5/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
F10 P00742 1/20 0.40
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL8903332 1.00 RAB9A (0.41) RAB9ANPC1KMT2AITGB3ITGA2B
SCHEMBL8712889 0.87 HPGDS (0.41) RAB9ANPC1KMT2AF2ST14
SCHEMBL8905109 0.87 HPGDS (0.41) RAB9ANPC1KMT2AF2ST14
SCHEMBL8716704 0.85 F2 (0.55) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904670 0.85 F2 (0.55) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8905194 0.84 ITGB3 (0.42) RAB9ANPC1KMT2AITGB3ITGA2B
SCHEMBL8719904 0.84 ITGB3 (0.42) RAB9ANPC1KMT2AITGB3ITGA2B
SCHEMBL8712746 0.80 RAB9A (0.42) RAB9ANPC1KMT2AITGB3ITGA2B
SCHEMBL8904101 0.80 RAB9A (0.42) RAB9ANPC1KMT2AITGB3ITGA2B
SCHEMBL8904683 0.76 ITGB3 (0.43) ITGB3ITGA2BF2ST14PRSS1

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed