SCHEMBL15001746

SCHEMBL15001746

Cc1cc(Cl)c(C2C(=O)CC(Cc3ccccn3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ IKBKB O14920 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ NEK1 Q96PY6 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ PDE4D Q08499 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL427443 0.88 IKBKB (0.40) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427482 0.86 IKBKB (0.39) RAB9AHPGDIKBKBPRKAG1PRKAA1
SCHEMBL14993995 0.86 PDE4D (0.34) RAB9AIKBKBPRKAG1PRKAA1NEK1
SCHEMBL430745 0.84 IKBKB (0.39) RAB9AIKBKBPRKAG1PRKAA1NEK1
SCHEMBL427461 0.83 IKBKB (0.41) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL16204000 0.82 KDM4E (0.39) RAB9AHPGDIKBKBPRKAG1PRKAA1
SCHEMBL427477 0.81 IKBKB (0.39) RAB9AIKBKBPRKAG1PRKAA1NEK1
SCHEMBL430421 0.81 KDM4E (0.39) RAB9AHPGDIKBKBPRKAG1PRKAA1
SCHEMBL428531 0.81 IKBKB (0.38) RAB9AHPGDIKBKBPRKAG1PRKAA1
SCHEMBL427534 0.81 IKBKB (0.38) RAB9AIKBKBPRKAG1PRKAA1NEK1

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-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — WO disclosed
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