SCHEMBL9030900

SCHEMBL9030900

N=C(N)Nc1ccc(C2=NOC(C[C]=O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.58
▸ F10 P00742 5/20 0.58
▸ PRSS1 P07477 2/20 0.50
▸ MIF P14174 6/20 0.45
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 7/20 0.44
▸ ITGB2 P05107 2/20 0.44
▸ ITGAM P11215 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ RHOA P61586 1/20 0.41

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
SCHEMBL8671928 0.79 MIF (0.45) F2F10PRSS1MIFHDAC6
SCHEMBL21706040 0.67 F2 (0.64) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7373045 0.65 MIF (0.72) F2F10PRSS1MIFITGB3
SCHEMBL7372374 0.65 MIF (0.72) F2F10PRSS1MIFITGB3
SCHEMBL399197 0.65 KIF11 (0.48) F2PRSS1NPC1SMN1; SMN2
SCHEMBL3989192 0.63 MIF (0.45) F2F10PRSS1MIFNPC1
SCHEMBL14183673 0.63 MIF (0.58) F2F10PRSS1MIFITGB3
SCHEMBL1446332 0.63 KMT2A (0.39) F2PRSS1NPC1RAB9ASMN1; SMN2
SCHEMBL1445800 0.63 PRSS1 (0.39) F2PRSS1
SCHEMBL14214320 0.62 ALDH1A1 (0.47) MIFSMN1; SMN2

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 1 patent. 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
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