SCHEMBL5743889

SCHEMBL5743889

O=C(Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
NPC1 O15118 4/20 0.74
KMT2A Q03164 4/20 0.74
RAB9A P51151 3/20 0.74
MEN1 O00255 3/20 0.74
MAPT P10636 3/20 0.74
IRAK4 Q9NWZ3 12/20 0.73
ALDH1A1 P00352 1/20 0.73
PKM P14618 1/20 0.64
MAOB P27338 1/20 0.64
ADORA2A P29274 1/20 0.64
SCD O00767 1/20 0.58
MCL1 Q07820 1/20 0.56

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
SCHEMBL25956596 0.92 IRAK4 (0.83) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL5743892 0.90 RAB9A (0.74) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL17488032 0.88 RAB9A (0.67) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL16562030 0.85 NPC1 (1.00) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL3597174 0.84 IRAK4 (1.00) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL24373774 0.83 IRAK4 (0.84) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL25956581 0.83 IRAK4 (0.84) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL25956583 0.83 IRAK4 (0.84) SMN1; SMN2NPC1KMT2ARAB9AMEN1
Hydrochloric Acid SCHEMBL27631617 0.82 IRAK4 (0.54) SMN1; SMN2NPC1KMT2ARAB9AMEN1
SCHEMBL29500516 0.82 LMNA (0.57) SMN1; SMN2NPC1KMT2ARAB9AMEN1

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-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-4011236-A N-(BENZIMIDAZOL-2-YL)ARYLCARBOXAMIDES AS ULTRAVIOLET (UV) LIGHT ABSORBERS MERCK & CO., INC. (US) 1977-03-08 US disclosed