SCHEMBL27606051

SCHEMBL27606051

O=[SH](=O)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL8344703 0.79 ALDH1A1 (0.46) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8348316 0.78 F10 (0.43) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3863014 0.77 CSNK2A2 (0.49) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8344521 0.76 NPBWR1 (0.50) ALDH1A1SMN1; SMN2NPC1HPGDNFKB1
SCHEMBL8346292 0.76 F10 (0.43) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8344662 0.76 KDM4E (0.40) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8344485 0.76 RHEB (0.49) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3861744 0.74 F10 (0.47) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4687144 0.74 F10 (0.40) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL27624772 0.74 F10 (0.41) F10KDM4EALDH1A1SMN1; SMN2NPC1

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
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 — — CN disclosed
Send feedback