SCHEMBL28156349

SCHEMBL28156349

O=C(O)c1cccc(-c2cn[nH]c2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ ROCK2 O75116 7/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ HNF4A P41235 1/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ STING1 Q86WV6 1/20 0.38
▸ LIG1 P18858 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ ACLY P53396 1/20 0.37
▸ FOLH1 Q04609 1/20 0.37

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
SCHEMBL29550614 0.85 AKT1 (0.58) AKT1AKT2ROCK2GPR35PDK2
SCHEMBL2397762 0.85 AKT1 (0.58) AKT1AKT2ROCK2GPR35PDK2
SCHEMBL17799585 0.84 AKT1 (0.56) AKT1AKT2ROCK2GPR35PDK2
SCHEMBL29628511 0.83 TSHR (0.46) AKT1AKT2ROCK2GPR35PDK2
SCHEMBL16179438 0.80 ROCK1 (0.42) AKT1AKT2ROCK2PDK2ROCK1
SCHEMBL28567708 0.77 HNF4A (0.62) HNF4AHSD17B10LIG1FOLH1
SCHEMBL1362671 0.77 HNF4A (0.57) HNF4AHSD17B10LIG1FOLH1
SCHEMBL63603 0.77 HSD17B10 (0.58) HNF4AHSD17B10LIG1FOLH1
SCHEMBL17303474 0.77 AKT2 (0.55) AKT1AKT2ROCK2PDK2ROCK1
SCHEMBL30771213 0.77 HTT (0.45) AKT1AKT2ROCK2GPR35ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 — — CN claimed
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 — — CN disclosed
CN-105307492-B Binary desinsection or deinsectization mixture 拜耳作物科学股份公司 2018-03-30 — — CN disclosed
CN-105163583-B Active agent combinations with insecticidal properties 拜耳作物科学股份公司 2017-07-11 — — CN disclosed
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