SCHEMBL30360593

SCHEMBL30360593

O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
GAA P10253 2/20 0.69
SRPK1 Q96SB4 9/20 0.69
POLB P06746 1/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
TSHR P16473 1/20 0.66
HSD17B10 Q99714 1/20 0.66

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
SCHEMBL30360594 1.00 KDM4E (0.69) KDM4EGAASRPK1POLBALDH1A1
SCHEMBL28292119 1.00 KDM4E (0.69) KDM4EGAASRPK1POLBALDH1A1
SCHEMBL20856071 0.85 SRPK1 (0.64) SRPK1
SCHEMBL29868788 0.85 SRPK1 (0.64) SRPK1
SCHEMBL20856174 0.85 SRPK1 (0.63) GAASRPK1
SCHEMBL29868558 0.85 SRPK1 (0.63) GAASRPK1
SCHEMBL20856004 0.84 SRPK1 (0.65) SRPK1
SCHEMBL29868674 0.84 SRPK1 (0.65) SRPK1
SCHEMBL13540499 0.84 SRPK1 (0.79) KDM4EGAASRPK1POLBALDH1A1
SCHEMBL22361912 0.83 SRPK1 (0.61) SRPK1ALDH1A1HPGDTSHRHSD17B10

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-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN claimed
CN-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN disclosed