SCHEMBL30451004

SCHEMBL30451004

CC(C)(C)OC(=O)Nc1nc2ccc(Nc3cncc(C(F)(F)F)c3)cc2s1.O=C(O)C1C2C=CC(C2)C1C(=O)Nc1nc2ccc(Nc3cncc(C(F)(F)F)c3)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 1/20 0.42
PIK3CD O00329 1/20 0.41
LCK P06239 9/20 0.40
CSNK1D P48730 2/20 0.39
DYRK1A Q13627 1/20 0.39
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL25303127 0.92 ALDH1A1 (0.56) ALDH1A1CYP2D6PIK3CDCSNK1DDYRK1A
SCHEMBL30450142 0.92 ALDH1A1 (0.56) ALDH1A1CYP2D6PIK3CDCSNK1DDYRK1A
SCHEMBL25834262 0.92 ALDH1A1 (0.56) ALDH1A1CYP2D6PIK3CDCSNK1DDYRK1A
SCHEMBL25259089 0.87 PIK3CD (0.50) CYP2D6PIK3CDLCKCSNK1DDYRK1A
SCHEMBL31114491 0.87 PIK3CD (0.50) CYP2D6PIK3CDLCKCSNK1DDYRK1A
SCHEMBL30450379 0.79 ALDH1A1 (0.55) ALDH1A1CYP2D6CSNK1DDYRK1APOLB
SCHEMBL25307365 0.79 ALDH1A1 (0.55) ALDH1A1CYP2D6CSNK1DDYRK1APOLB
SCHEMBL25300056 0.78 ALDH1A1 (0.67) ALDH1A1CYP2D6CSNK1DDYRK1A
SCHEMBL30451396 0.78 ALDH1A1 (0.67) ALDH1A1CYP2D6CSNK1DDYRK1A
SCHEMBL25833329 0.78 ALDH1A1 (0.67) ALDH1A1CYP2D6CSNK1DDYRK1A

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 2 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
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