SCHEMBL29638150

SCHEMBL29638150

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C(\C)c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 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
SCHEMBL22954799 1.00 KMT2A (0.46) KMT2APOLBNPC1ALDH1A1MAPT
SCHEMBL22955380 0.92 MAPT (0.41) KMT2APOLBALDH1A1MAPT
SCHEMBL29638152 0.88 NPC1 (0.37) KMT2ANPC1ALDH1A1RAB9AMEN1
SCHEMBL22954807 0.88 NPC1 (0.37) KMT2ANPC1ALDH1A1RAB9AMEN1
SCHEMBL23665983 0.88 MAPT (0.45) MAPT
SCHEMBL22955321 0.87 NPC1 (0.43) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29638148 0.87 NPC1 (0.43) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22955348 0.85 CA12 (0.43) RAB9A
SCHEMBL23666012 0.84 POLB (0.33) KMT2APOLB
SCHEMBL22954803 0.84 CYP1A2 (0.41)

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
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN claimed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed