SCHEMBL30451152

SCHEMBL30451152

CC(C)(C)OC(=O)Nc1nc2ccc(Nc3ccccn3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.54
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
OPRK1 P41145 3/20 0.48
HTT P42858 2/20 0.48
PKM P14618 2/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
AGTR1 P30556 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL25256567 1.00 LCK (0.54) LCKRAB9AMAPTNPC1OPRK1
SCHEMBL25303610 0.87 LCK (0.56) LCKRAB9AMAPTNPC1OPRK1
SCHEMBL31114499 0.85 LCK (0.56) LCKRAB9AMAPTHTTKMT2A
SCHEMBL25303576 0.85 LCK (0.56) LCKRAB9AMAPTHTTKMT2A
SCHEMBL25300411 0.84 LCK (0.50) LCKRAB9ANPC1KMT2A
SCHEMBL31114623 0.84 LCK (0.50) LCKRAB9ANPC1KMT2A
SCHEMBL31114701 0.83 LCK (0.54) LCKRAB9AMAPTKMT2APOLB
SCHEMBL25255289 0.83 LCK (0.54) LCKRAB9AMAPTKMT2APOLB
SCHEMBL31114633 0.82 DYRK1A (0.51) LCK
SCHEMBL25303404 0.82 DYRK1A (0.51) LCK

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-4460500-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2024-11-13 EP disclosed
WO-2023131649-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-07-13 WO disclosed