SCHEMBL29059158

SCHEMBL29059158

Cc1cccc(C)c1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.74
MAPT P10636 3/20 0.71
POLB P06746 1/20 0.71
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.56
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
ATM Q13315 1/20 0.55
PTGS2 P35354 3/20 0.55
RXFP1 Q9HBX9 2/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
FLT1 P17948 1/20 0.52
KDR P35968 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL29058661 0.86 EPAS1 (0.80) EPAS1MAPTPOLBLMNASMN1; SMN2
SCHEMBL29058656 0.86 EPAS1 (0.78) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL29059359 0.85 EPAS1 (1.00) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL29059021 0.85 EPAS1 (0.81) EPAS1MAPTPOLBLMNASMN1; SMN2
SCHEMBL30395450 0.84 EPAS1 (1.00) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL30396182 0.83 EPAS1 (0.74) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL29058654 0.83 EPAS1 (0.74) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL7824661 0.83 EPAS1 (0.66) EPAS1MAPTPOLBLMNASMN1; SMN2
SCHEMBL29058667 0.82 EPAS1 (0.81) EPAS1MAPTPOLBLMNASMN1; SMN2
SCHEMBL30395324 0.81 EPAS1 (0.64) EPAS1MAPTPOLBLMNAHPGD

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-116236478-A Application of aromatic heterocyclic formamide compound 浙江大学 2023-06-09 CN disclosed