SCHEMBL30450201

SCHEMBL30450201

O=C(O)C1C2C=CC(C2)C1C(=O)Nc1nc2ccc(Oc3ccc(F)cc3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SCD O00767 1/20 0.50
ITK Q08881 2/20 0.46
RIPK3 Q9Y572 4/20 0.46
RIPK1 Q13546 3/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDPK1 O15530 1/20 0.45
DYRK1A Q13627 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LRRK2 Q5S007 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL25832897 1.00 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL25299304 1.00 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL30450353 0.92 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL30450743 0.92 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL25262555 0.92 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL25256081 0.92 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL25832855 0.92 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL25307147 0.90 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASCDITK
SCHEMBL30450463 0.90 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASCDITK
SCHEMBL25832968 0.90 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASCDITK

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