SCHEMBL25833395

SCHEMBL25833395

O=C(Nc1nc2ccc(O)cc2s1)[C@@H]1C2C=CC(C2)[C@@H]1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
DYRK1A Q13627 6/20 0.56
DYRK1B Q9Y463 2/20 0.54
HSD17B1 P14061 4/20 0.53
HSD17B2 P37059 3/20 0.51
SNCA P37840 1/20 0.50
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABL1 P00519 1/20 0.48
KIT P10721 1/20 0.48
PDGFRA P16234 1/20 0.48
DYRK2 Q92630 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL25303826 1.00 ALDH1A1 (0.72) ALDH1A1MAOAMAOBDYRK1ADYRK1B
SCHEMBL30450796 0.87 ALDH1A1 (0.74) ALDH1A1DYRK1APOLBCASP6TDP1
SCHEMBL30451111 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1APOLBCASP6TDP1
SCHEMBL30450710 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1ATDP1NPC1RAB9A
SCHEMBL25262900 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1APOLBCASP6TDP1
SCHEMBL25300443 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1APOLBCASP6TDP1
SCHEMBL25299185 0.87 ALDH1A1 (0.70) ALDH1A1MAOAMAOBPOLBCASP6
SCHEMBL25300046 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1ATDP1NPC1RAB9A
SCHEMBL30450172 0.87 ALDH1A1 (0.70) ALDH1A1DYRK1APOLBCASP6TDP1
SCHEMBL25260244 0.87 ALDH1A1 (0.74) ALDH1A1DYRK1APOLBCASP6TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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