SCHEMBL13157944

SCHEMBL13157944

CC(=O)c1ccc(CN(C)S)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 1/20 0.59
▸ KMT2A Q03164 1/20 0.57
▸ LMNA P02545 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAOB P27338 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL12734915 0.83 PYCR1 (0.62) PYCR1KMT2ALMNAHRH3MAPT
SCHEMBL31725230 0.80 PYCR1 (0.59) PYCR1KMT2ALMNAHRH3MAPT
SCHEMBL2238302 0.80 ALDH1A1 (0.69) PYCR1KMT2ALMNAHRH3MAPT
SCHEMBL540981 0.76 HRH3 (0.71) PYCR1KMT2ALMNAHRH3MAPT
SCHEMBL23640623 0.76 PYCR1 (0.63) PYCR1KMT2ALMNAHRH3MAPT
SCHEMBL3302105 0.74 KMT2A (0.67) PYCR1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6859304 0.73 KMT2A (1.00) PYCR1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9818052 0.73 KMT2A (0.73) PYCR1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL70979 0.73 PYCR1 (0.59) PYCR1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL50646 0.72 MAPT (0.68) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1

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
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 — — US disclosed
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