SCHEMBL25833380

SCHEMBL25833380

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
POLB P06746 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP6 P55212 2/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABL1 P00519 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CLK1 P49759 1/20 0.43

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
SCHEMBL25299185 1.00 ALDH1A1 (0.70) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL25303826 0.87 ALDH1A1 (0.72) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL25833395 0.87 ALDH1A1 (0.72) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL30450710 0.86 ALDH1A1 (0.70) ALDH1A1TDP1NPC1RAB9ACASP3
SCHEMBL30451111 0.86 ALDH1A1 (0.70) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL30450172 0.86 ALDH1A1 (0.70) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL25300046 0.86 ALDH1A1 (0.70) ALDH1A1TDP1NPC1RAB9ACASP3
SCHEMBL25262900 0.86 ALDH1A1 (0.70) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL30450796 0.86 ALDH1A1 (0.74) ALDH1A1POLBTDP1CASP6NPC1
SCHEMBL25260244 0.86 ALDH1A1 (0.74) ALDH1A1POLBTDP1CASP6NPC1

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