SCHEMBL28342000

SCHEMBL28342000

CN(C=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.51
LSS P48449 1/20 0.48
MTOR P42345 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KIF11 P52732 1/20 0.39

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
Hydrochloric Acid SCHEMBL3160893 0.80 TACR1 (0.44) IDO1
SCHEMBL5537402 0.79 PYCR1 (0.47) PYCR1KMT2AMEN1TAAR1IDO1
SCHEMBL10261974 0.78 LSS (0.63) PYCR1LSSMTORKMT2AMEN1
SCHEMBL6232804 0.78 TAAR1 (0.46) PYCR1LSSMTORKMT2AMEN1
Hydrochloric Acid SCHEMBL28571807 0.76 LSS (0.61) PYCR1LSSMTORKMT2AMEN1
SCHEMBL14306693 0.76 CYP2C19 (0.35) PYCR1TAAR1CYP2C19KDM4EHTT
SCHEMBL24723657 0.75 MTOR (0.44) MTORALDH1A1
SCHEMBL5548152 0.75 PYCR1 (0.52) PYCR1LSSTAAR1KDM4ELMNA
SCHEMBL5513954 0.75 MMP13 (0.39) KMT2AMEN1CYP2C19KDM4EHTT
SCHEMBL19403536 0.75 PYCR1 (0.56) PYCR1LSSMTORKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN claimed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN claimed
CN-107892670-B Method for synthesizing formamide derivative through cobalt-catalyzed formylation reaction 湘潭大学 2019-12-13 CN claimed
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN disclosed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN disclosed
CN-107892670-B Method for synthesizing formamide derivative through cobalt-catalyzed formylation reaction 湘潭大学 2019-12-13 CN disclosed