SCHEMBL7559521

SCHEMBL7559521

O=C(NCCc1ccccc1)c1ncc2nc[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HIF1A Q16665 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ EGFR P00533 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ QPCT Q16769 1/20 0.44

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
SCHEMBL5758424 0.79 GABRR1 (0.40) KMT2AL3MBTL1
SCHEMBL6343838 0.77 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7703356 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HIF1AMEN1
SCHEMBL7127675 0.74 CYP1A2 (0.45) MEN1KMT2AL3MBTL1
SCHEMBL31269349 0.73 HSD17B10 (0.33) RAB9ASMN1; SMN2
SCHEMBL4436717 0.73 HSD17B10 (0.33) RAB9ASMN1; SMN2
SCHEMBL6946789 0.73 HTR2C (0.47) RAB9ANPC1QPCT
SCHEMBL13373334 0.72 L3MBTL1 (0.64) RAB9ANPC1SMN1; SMN2L3MBTL1QPCT
SCHEMBL19994540 0.72 L3MBTL1 (0.78) RAB9ASMN1; SMN2KMT2AL3MBTL1QPCT
SCHEMBL7706327 0.71 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HIF1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185542-A2 PURINE DERIVATIVES Pfizer Limited (GB) 2002-03-13 — — EP claimed
WO-2000077018-A2 PURINE DERIVATIVES PFIZER LIMITED (GB) 2000-12-21 — — WO claimed
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