SCHEMBL30981122

SCHEMBL30981122

Cc1ccc(S(=O)(=O)OCC2CN(c3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 1/20 0.45
TNF P01375 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
POLB P06746 1/20 0.45
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
F2 P00734 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL28741 0.88 MAPT (0.55) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL27907 0.79 MAPT (0.53) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL3125630 0.78 FFAR1 (0.46) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL2391755 0.78 ACHE (0.40) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL27875 0.78 MAPT (0.51) MAPTALDH1A1NPC1TNFRAB9A
SCHEMBL18280129 0.76 RECQL (0.49) MAPTALDH1A1RAB9APAX8HTT
SCHEMBL23983756 0.75 CRBN (0.43) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL18280038 0.74 ALDH1A1 (0.51) MAPTALDH1A1RAB9AHTTLMNA
SCHEMBL197968 0.73 ACHE (0.57) ALDH1A1RAB9AACHEHSD17B10BCHE
SCHEMBL27906 0.73 MAPT (0.54) MAPTALDH1A1NPC1TNFRAB9A

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-4652161-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS Uppthera, Inc. (KR) 2025-11-26 EP disclosed
WO-2024155112-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS UPPTHERA, INC. (KR) 2024-07-25 WO disclosed