SCHEMBL30451400

SCHEMBL30451400

O=C(O)C1C2C=CC(C2)C1C(=O)Nc1nc2ccc(Nc3ccc(F)cn3)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 4/20 0.41
PDPK1 O15530 1/20 0.41
DYRK1A Q13627 1/20 0.41
LRRK2 Q5S007 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CASP6 P55212 1/20 0.40
ABL1 P00519 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL25834103 1.00 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25299150 1.00 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30450379 0.89 ALDH1A1 (0.55) ALDH1A1POLBDYRK1AABL1
SCHEMBL25307365 0.89 ALDH1A1 (0.55) ALDH1A1POLBDYRK1AABL1
SCHEMBL30450819 0.88 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25258594 0.88 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25834068 0.88 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL25259129 0.87 ALDH1A1 (0.53) ALDH1A1POLBDYRK1ATDP1CASP6
SCHEMBL30450317 0.87 ALDH1A1 (0.53) ALDH1A1POLBDYRK1ATDP1CASP6
SCHEMBL25834339 0.87 ALDH1A1 (0.53) ALDH1A1POLBDYRK1ATDP1CASP6

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 6 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 claimed
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 claimed
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 claimed
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