SCHEMBL3096722

SCHEMBL3096722

CCCCCCc1[nH]c(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KCNH2 Q12809 1/20 0.37
GPR84 Q9NQS5 4/20 0.36

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
SCHEMBL3111171 0.98 TYMP (0.37) TYMPALDH1A1PKMHPGDKCNH2
SCHEMBL3105280 0.84 PDK2 (0.44) TYMP
SCHEMBL4152719 0.76 KDM4E (0.33)
SCHEMBL3112403 0.74
SCHEMBL6123017 0.74 TYMP (0.38) TYMPALDH1A1
SCHEMBL9081842 0.72 GPR84 (0.45) TYMPALDH1A1PKMHPGDGPR84
SCHEMBL129 0.72 GPR84 (0.45) TYMPALDH1A1PKMHPGDGPR84
SCHEMBL28138958 0.67 ALDH1A1 (0.39) TYMPALDH1A1PKMHPGDKCNH2
SCHEMBL28139630 0.67 ALDH1A1 (0.39) TYMPALDH1A1PKMHPGDKCNH2
SCHEMBL28052800 0.67 ALDH1A1 (0.39) TYMPALDH1A1PKMHPGDKCNH2

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