SCHEMBL8469574

SCHEMBL8469574

Cc1ccc(C)n1-c1ccc2[nH]c(S)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
ALDH1A1 P00352 9/20 0.35
MAPT P10636 8/20 0.35
KDM4E B2RXH2 7/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MYC P01106 4/20 0.34
POLB P06746 3/20 0.34
CTSB P07858 2/20 0.34
KLKB1 P03952 1/20 0.34
ELANE P08246 1/20 0.34
MMP9 P14780 1/20 0.34
DUSP3 P51452 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8469581 0.87 ALDH1A1 (0.37) DHODHALDH1A1MAPTKDM4EMEN1
SCHEMBL229607 0.75 KMT2A (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1253211 0.75 MAPT (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10841299 0.74 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8977401 0.74 OPRL1 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL8059849 0.74 KDM4E (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14022216 0.73
SCHEMBL8073985 0.73 TERT (0.54) ALDH1A1MAPTMEN1KMT2AALOX15
SCHEMBL8059909 0.73 TERT (0.54) ALDH1A1MAPTMEN1KMT2AALOX15
Methyl Alcohol SCHEMBL4797570 0.73 CYP1A2 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048245-C Novel 5-pyrrolyl-2-pyridylmethylsulfinyl benzimidazole derivatives IL YANG PHARM CO LTD (KR) 2000-01-12 CN disclosed
EP-0696281-B1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL YANG PHARM CO LTD (KR) 1999-05-12 EP disclosed
US-5703097-A ANTIULCER AGENTS IL-YANG PHARM. CO., LTD. (KR) 1997-12-30 US disclosed
CN-1121714-A Novel 5-pyrrolyl-2-pyridylmethylsulfinyl benzimidazole derivatives IL YANG PHARM CO LTD (KR) 1996-05-01 CN disclosed
EP-0696281-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1996-02-14 EP disclosed
WO-1995023140-A1 NOVEL 5-PYRROLYL-2-PYRIDYLMETHYLSULFINYL BENZIMIDAZOLE DERIVATIVES IL-YANG PHARM. CO., LTD. (KR) 1995-08-31 WO disclosed