SCHEMBL31236765

SCHEMBL31236765

O=C(Nc1ccccn1)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 1.00
▸ RAB9A P51151 5/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ MAPT P10636 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ PIM1 P11309 1/20 0.55
▸ ADORA2A P29274 1/20 0.55
▸ ADORA2B P29275 1/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ PIM3 Q86V86 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ CDK4 P11802 1/20 0.53
▸ CCND2 P30279 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ GAA P10253 1/20 0.51

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
SCHEMBL11332310 0.84 KMT2A (0.73) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4810409 0.80 MEN1 (0.71) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29744982 0.80 MEN1 (0.71) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL27523784 0.79 NPC1 (0.66) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9750118 0.79 NPC1 (0.81) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14514336 0.78 NPC1 (0.64) NPC1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6823227 0.78 KMT2A (0.67) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4388940 0.77 CXCR2 (0.78) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11617823 0.77 NPC1 (0.62) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL11617822 0.77 NPC1 (0.62) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12408914-B2 Systems and methods for customizing mechanical strength in stimuli-responsive bioabsorbable materials CILAG GMBH INTERNATIONAL (CH) 2025-09-09 — — US disclosed
EP-4543502-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS Cilag GmbH International (CH) 2025-04-30 — — EP disclosed
US-20240423617-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — US disclosed
WO-2024261659-A1 SYSTEMS AND METHODS FOR CUSTOMIZING MECHANICAL STRENGTH IN STIMULI-RESPONSIVE BIOABSORBABLE MATERIALS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — WO disclosed
US-20240423620-A1 COMPRESSIBLE SURGICAL ADJUNCTS, CARTRIDGES, AND CARTRIDGE ASSEMBLIES AND METHODS OF MAKING SURGICAL ADJUNCTS CILAG GMBH INTERNATIONAL (CH) 2024-12-26 — — US disclosed
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