SCHEMBL30450463

SCHEMBL30450463

O=C(O)C1C2C=CC(C2)C1C(=O)Nc1nc2ccc(Oc3ccncc3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
ITK Q08881 5/20 0.46
POLB P06746 3/20 0.46
HTT P42858 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CASP6 P55212 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 2/20 0.43
WNT3A P56704 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
DYRK1A Q13627 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 1/20 0.43
SCD O00767 1/20 0.42

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
SCHEMBL25832968 1.00 ALDH1A1 (0.62) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL25307147 1.00 ALDH1A1 (0.62) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL30450743 0.92 ALDH1A1 (0.64) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL30450353 0.92 ALDH1A1 (0.64) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL25256081 0.92 ALDH1A1 (0.64) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL25262555 0.92 ALDH1A1 (0.64) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL25832855 0.92 ALDH1A1 (0.64) ALDH1A1ITKPOLBHTTTDP1
SCHEMBL25299304 0.90 ALDH1A1 (0.62) ALDH1A1ITKPOLBTDP1NPC1
SCHEMBL30450201 0.90 ALDH1A1 (0.62) ALDH1A1ITKPOLBTDP1NPC1
SCHEMBL25832897 0.90 ALDH1A1 (0.62) ALDH1A1ITKPOLBTDP1NPC1

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