SCHEMBL28409115

SCHEMBL28409115

NCC(C(=O)O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL3774595 0.82 MAPK1 (0.69) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL784569 0.81 MAPK1 (0.52) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL27669874 0.80 MAPK1 (0.56) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL28824727 0.79 MAPK1 (0.50) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL29858300 0.79 MAPK1 (0.50) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL20994042 0.79 MAPK1 (0.54) MAPK1KMT2AMEN1GAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL784209 0.76 MAPK1 (0.52) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL4452273 0.76 ALDH1A1 (0.56) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL783991 0.75 MAPK1 (0.50) MAPK1KMT2AMEN1GAASMN1; SMN2
SCHEMBL2891610 0.75 KMT2A (0.77) MAPK1KMT2AMEN1GAASMN1; SMN2

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-111170934-B Dissociation method of 2-aminomethyl-3-chloro-5-trifluoromethyl pyridine nickel acetate complex 大连九信精细化工有限公司 2021-07-13 CN claimed
CN-111170934-A Dissociation method of 2-aminomethyl-3-chloro-5-trifluoromethyl pyridine nickel acetate complex 大连九信精细化工有限公司 2020-05-19 CN claimed
CN-111170934-B Dissociation method of 2-aminomethyl-3-chloro-5-trifluoromethyl pyridine nickel acetate complex 大连九信精细化工有限公司 2021-07-13 CN disclosed
CN-111170934-A Dissociation method of 2-aminomethyl-3-chloro-5-trifluoromethyl pyridine nickel acetate complex 大连九信精细化工有限公司 2020-05-19 CN disclosed