SCHEMBL30451659

SCHEMBL30451659

Nc1nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.70
EPHX2 P34913 1/20 0.70
RAB9A P51151 5/20 0.69
NPC1 O15118 3/20 0.69
TP53 P04637 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 2/20 0.69
HTT P42858 2/20 0.69
CYP3A4 P08684 5/20 0.65
CYP1A2 P05177 2/20 0.65
HSD17B10 Q99714 2/20 0.65
GAA P10253 2/20 0.65
GMNN O75496 1/20 0.65
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2C9 P11712 1/20 0.65
PKM P14618 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65

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
SCHEMBL18004108 1.00 SCN4A (0.70) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL20568080 0.86 RAB9A (0.84) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL25257398 0.84 SCN4A (0.60) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL30450378 0.84 SCN4A (0.60) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL6067934 0.84 RAB9A (0.75) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL31114514 0.84 RAB9A (0.75) SCN4ARAB9ANPC1TP53SMN1; SMN2
SCHEMBL25306149 0.84 RAB9A (0.75) SCN4ARAB9ANPC1TP53SMN1; SMN2
SCHEMBL31114771 0.84 RAB9A (0.75) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL10694424 0.83 SCN4A (0.63) SCN4AEPHX2RAB9ANPC1TP53
SCHEMBL1417399 0.83 SCN4A (1.00) SCN4AEPHX2RAB9ANPC1TP53

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 3 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
CN-118660885-A Norbornene analogs and their use as potentiators of antitubercular drugs 国家医疗保健研究所 2024-09-17 CN 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