SCHEMBL30451396

SCHEMBL30451396

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
CYP2D6 P10635 1/20 0.62
DYRK1A Q13627 2/20 0.60
CSNK1D P48730 11/20 0.56
ACP1 P24666 1/20 0.54
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL25300056 1.00 ALDH1A1 (0.67) ALDH1A1CYP2D6DYRK1ACSNK1DACP1
SCHEMBL25833329 1.00 ALDH1A1 (0.67) ALDH1A1CYP2D6DYRK1ACSNK1DACP1
SCHEMBL30450160 0.92 ALDH1A1 (0.62) ALDH1A1CYP2D6DYRK1ACSNK1DACP1
SCHEMBL25262799 0.92 ALDH1A1 (0.62) ALDH1A1CYP2D6DYRK1ACSNK1DACP1
SCHEMBL25833569 0.92 ALDH1A1 (0.62) ALDH1A1CYP2D6DYRK1ACSNK1DACP1
SCHEMBL30450832 0.89 ALDH1A1 (0.70) ALDH1A1CYP2D6DYRK1ACSNK1D
SCHEMBL25832791 0.89 ALDH1A1 (0.70) ALDH1A1CYP2D6DYRK1ACSNK1D
SCHEMBL25260868 0.89 ALDH1A1 (0.70) ALDH1A1CYP2D6DYRK1ACSNK1D
SCHEMBL25261844 0.89 ALDH1A1 (0.59) ALDH1A1CYP2D6DYRK1ACSNK1D
SCHEMBL30450719 0.89 ALDH1A1 (0.59) ALDH1A1CYP2D6DYRK1ACSNK1D

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