SCHEMBL6972234

SCHEMBL6972234

CO[CH]c1ccnc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.32
CCR4 P51679 1/20 0.32
GAA P10253 3/20 0.32
PKM P14618 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL748190 0.74 CCR1 (0.50) NFE2L2RAB9AALDH1A1CCR1CCR5
SCHEMBL30529332 0.74 CCR1 (0.50) NFE2L2RAB9AALDH1A1CCR1CCR5
SCHEMBL2847656 0.72 ALDH1A1 (0.38) ALDH1A1CCR1CCR5CCR8MAPT
Formic Acid Methyl Ester SCHEMBL27958624 0.71 CCR4 (0.34) NFE2L2CCR4ALDH1A1CCR1CCR5
SCHEMBL30320423 0.68 DYRK1A (0.40) CCR4GAAPKMRAB9AALDH1A1
SCHEMBL1662248 0.68 DYRK1A (0.40) CCR4GAAPKMRAB9AALDH1A1
SCHEMBL845897 0.68 HPGD (0.37) GAAPKMRAB9AALDH1A1CCR1
SCHEMBL845896 0.68 HPGD (0.37) GAAPKMRAB9AALDH1A1CCR1
SCHEMBL10707745 0.67 L3MBTL1 (0.42) NFE2L2RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1534512 0.67 CA1 (0.46) NFE2L2GAAPKMRAB9AALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed