SCHEMBL3103281

SCHEMBL3103281

CCCCc1nc(Cl)[nH]c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GCGR P47871 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
GSK3B P49841 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL27807973 0.82 TYMP (0.42) TYMPL3MBTL1ALDH1A1HRH3MAPK1
SCHEMBL27786276 0.80 TYMP (0.37) TYMPL3MBTL1ALDH1A1HRH3MAPK1
SCHEMBL8025094 0.78
SCHEMBL3205670 0.69 ALDH1A1 (0.41) TYMPALDH1A1MAPK1GSK3B
SCHEMBL6123017 0.69 TYMP (0.38) TYMPL3MBTL1ALDH1A1MAPK1TSHR
SCHEMBL5138095 0.69 HRH3 (0.41) L3MBTL1ALDH1A1HRH3MAPK1TSHR
SCHEMBL13384270 0.67 ALDH1A1 (0.39) TYMPALDH1A1MAPK1GSK3B
SCHEMBL5276816 0.67 HCAR2 (0.37) TYMPL3MBTL1ALDH1A1HRH3MAPK1
SCHEMBL7626256 0.67 ALDH1A1 (0.46) TYMPALDH1A1MAPK1GSK3B
SCHEMBL11386954 0.66 SLC5A2 (0.33) L3MBTL1ALDH1A1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141151-B1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEM (JP) 2013-03-20 EP disclosed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP disclosed