SCHEMBL12800156

SCHEMBL12800156

NC(=O)c1ccc2cc(CI)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.43
▸ MAP4K1 Q92918 3/20 0.43
▸ PTPN1 P18031 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ SCN7A Q01118 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 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
SCHEMBL15045025 0.85 MGAM (0.51) MAPTALDH1A1GAANPC1MEN1
SCHEMBL20921201 0.84 MEN1 (0.46) KLKB1MAP4K1PTPN1ALDH1A1GAA
SCHEMBL8007815 0.75 NCK1 (0.55) PTPN1ALDH1A1PIM1NPC1MEN1
SCHEMBL16093684 0.75 BACE1 (0.55) PTPN1ALDH1A1GAAPIM1KMT2A
SCHEMBL31733680 0.75 BACE1 (0.55) PTPN1MAPTPIM1METAP2SCN9A
SCHEMBL5625543 0.75 GRM2 (0.47) PTPN1MAPTPIM1METAP2SCN9A
Hydrochloric Acid SCHEMBL31733671 0.73 BACE1 (0.53) PTPN1MAPTPIM1METAP2SCN9A
SCHEMBL1668204 0.73 TDP1 (0.46) PTPN1MAPTALDH1A1GAAPIM1
SCHEMBL18077323 0.72 SCN7A (0.46) PTPN1MAPTALDH1A1GAAPIM1
SCHEMBL4986476 0.72 PIM1 (0.42) PTPN1MAPTALDH1A1GAAPIM1

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
EP-2314586-A1 2-Acylaminothiazole derivative or salt thereof Astellas Pharma Inc. (JP) 2011-04-27 — — EP disclosed
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