SCHEMBL28487663

SCHEMBL28487663

Cc1cc2c(C(F)(F)F)cc(=O)n(-c3ccccn3)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC11A2 P49281 3/20 0.39
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL28480184 0.76 ALDH1A1 (0.49) MAT2ASMN1; SMN2DPP4ALDH1A1KDM4E
SCHEMBL28488134 0.75 MAPK14 (0.47) MAT2ASMN1; SMN2DPP4ALDH1A1KDM4E
SCHEMBL28487644 0.74 SMN1; SMN2 (0.45) MAT2ASMN1; SMN2SLC11A2DPP4ALDH1A1
SCHEMBL28222792 0.74 MAT2A (0.40) MAT2ASMN1; SMN2DPP4ALDH1A1KDM4E
SCHEMBL28488178 0.73 MAPK14 (0.45) MAT2ASMN1; SMN2SLC11A2DPP4ALDH1A1
SCHEMBL28478839 0.70 DPP4 (0.44) MAT2ASMN1; SMN2SLC11A2DPP4ALDH1A1
SCHEMBL28462043 0.66 KDM4E (0.39) SMN1; SMN2SLC11A2ALDH1A1KDM4EMEN1
SCHEMBL680518 0.65 MAT2A (0.46) MAT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL12628808 0.65 KDM4E (0.46) SMN1; SMN2DPP4ALDH1A1KDM4ELMNA
Acrylic Acid Methyl Ester SCHEMBL31473027 0.65 ALDH1A1 (0.41) MAT2ASMN1; SMN2ALDH1A1KDM4EMEN1

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-108191834-B Preparation method of benzo-fused N-heterocyclic compound 中山大学 2020-10-16 CN disclosed