SCHEMBL9634362

SCHEMBL9634362

O=C(O)C[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
AURKA O14965 1/20 0.39
PKN1 Q16512 2/20 0.39
PKN2 Q16513 2/20 0.39
CHEK2 O96017 2/20 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
SCHEMBL9634580 0.86 KDM4E (0.43) HPSEALDH1A1KDM4EHPGDNPC1
SCHEMBL9636544 0.86 HPSE (0.44) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9634355 0.85 PKN1 (0.46) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9635662 0.83 ALDH1A1 (0.46) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9634311 0.83 AURKA (0.45) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9634988 0.81 ALDH1A1 (0.43) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9634404 0.81 AURKA (0.43) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9636268 0.80 PDE5A (0.47) HPSEALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9634512 0.80 KDM4E (0.42) HPSEALDH1A1KDM4EPKMHPGD
SCHEMBL9635693 0.80 ALDH1A1 (0.42) HPSEALDH1A1KDM4EPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed