SCHEMBL30291135

SCHEMBL30291135

CNC(=O)c1ccc(OC)c(C(F)(F)F)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ NOTUM Q6P988 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ AKR1A1 P14550 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ PYGL P06737 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
SCHEMBL22208718 0.84 CFTR (0.45) ALDH1A1GAAHSD17B10CYP1A2CYP2C9
SCHEMBL22208588 0.83 TDP1 (0.47) ALDH1A1GAAPOLBHSD17B10CYP2C19
SCHEMBL5500439 0.81 NNMT (0.41) MAPK10PDE4BPOLBCYP1A2CYP2C9
SCHEMBL18530548 0.80 PLK1 (0.49) PLK1ALDH1A1GAAHSD17B10AKR1B10
SCHEMBL8573287 0.78 PLK1 (0.57) PLK1ALDH1A1PDE4DGAAPOLB
SCHEMBL8566810 0.76 GAA (0.47) PLK1ALDH1A1NOTUMGAAPOLB
Acetic Acid Methyl Ester SCHEMBL9750460 0.74 PLK1 (0.57) PLK1ALDH1A1MAPK9MAPK10GAA
SCHEMBL5196436 0.74 NPC1 (0.56) PLK1ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL15621232 0.73 PLK1 (0.55) PLK1ALDH1A1GAAPOLBHSD17B10
SCHEMBL5954008 0.72 PLK1 (0.54) PLK1HSD17B10

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
CN-115785088-A Compounds as SOS1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-03-14 — — CN disclosed
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