SCHEMBL30933632

SCHEMBL30933632

Nc1ccc(NC(=O)Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.70
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
CYP3A4 P08684 1/20 0.62
HPSE Q9Y251 1/20 0.60
RAB9A P51151 7/20 0.60
NPC1 O15118 7/20 0.60
POLB P06746 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
PKM P14618 2/20 0.56
MAOB P27338 1/20 0.56
ADORA2A P29274 1/20 0.56
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL11423733 0.88 MTOR (0.73) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL30933642 0.88 MTOR (0.73) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL23566380 0.87 NPC1 (0.75) MTORMEN1KMT2ACYP3A4RAB9A
SCHEMBL30933853 0.86 MTOR (0.74) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL21858394 0.86 MTOR (0.70) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL30933644 0.86 MTOR (0.70) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL30933633 0.86 MTOR (0.70) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL30933635 0.86 MTOR (0.70) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL30933692 0.86 MTOR (0.70) MTORMEN1KMT2ACYP3A4HPSE
SCHEMBL6506352 0.84 HPSE (0.87) HPSERAB9ANPC1POLBSMN1; SMN2

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