SCHEMBL30933737

SCHEMBL30933737

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.72
RAB9A P51151 5/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
MAPT P10636 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MTOR P42345 2/20 0.65
ALDH1A1 P00352 2/20 0.61
IRAK4 Q9NWZ3 1/20 0.61
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
HPSE Q9Y251 1/20 0.55
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGAV P06756 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL30933802 0.87 IRAK4 (0.70) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL25956566 0.87 IRAK4 (0.70) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL27093079 0.85 RIPK1 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6528065 0.85 HPSE (0.79) NPC1RAB9AMAPTSMN1; SMN2HPSE
SCHEMBL30933642 0.84 MTOR (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11423733 0.84 MTOR (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16562030 0.84 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1701289 0.83 RIPK1 (0.71) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL23566380 0.82 NPC1 (0.75) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21858394 0.82 MTOR (0.70) NPC1RAB9AMEN1KMT2AMAPT

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
WO-2024128568-A1 BENZIMIDAZOLYLUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 경북대학교 산학협력단 2024-06-20 WO disclosed