SCHEMBL6173324

SCHEMBL6173324

Cc1ncoc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ ACHE P22303 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ IMPDH2 P12268 2/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ APP P05067 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL3442197 0.81 RAB9A (0.48) ACHEMAPTLMNARAB9ANPC1
SCHEMBL2625716 0.80 RAB9A (0.41) KMT2AACHEHSD17B10MAPTLMNA
SCHEMBL6320656 0.78 MAPT (0.41) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL15946999 0.76 ADORA2A (0.49) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL15929467 0.76 IMPDH2 (0.50) KMT2AACHEHSD17B10IMPDH2IMPDH1
SCHEMBL31306202 0.76 S1PR4 (0.41) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL14705968 0.75 ADORA2A (0.44) KMT2AMAPTLMNARAB9ANPC1
SCHEMBL344928 0.75 IMPDH2 (0.46) KMT2AHSD17B10IMPDH2IMPDH1NPC1
SCHEMBL16063164 0.74 IMPDH2 (0.50) KMT2AIMPDH2IMPDH1MAPTLMNA
SCHEMBL2625712 0.73 TLR2 (0.38) KMT2AIMPDH2IMPDH1MAPTALDH1A1

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-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 — — EP disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 — — US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 — — EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 — — WO disclosed
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