SCHEMBL29059359

SCHEMBL29059359

Cc1onc(-c2ccccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 1.00
MAPT P10636 5/20 0.81
POLB P06746 1/20 0.81
LMNA P02545 3/20 0.55
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX12 P18054 1/20 0.53
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.51
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL29059021 0.90 EPAS1 (0.81) EPAS1MAPTPOLBLMNAALDH1A1
SCHEMBL30395450 0.89 EPAS1 (1.00) EPAS1MAPTPOLBLMNAHPGD
SCHEMBL29058661 0.89 EPAS1 (0.80) EPAS1MAPTPOLBLMNAALDH1A1
SCHEMBL29058667 0.87 EPAS1 (0.81) EPAS1MAPTPOLBLMNAGLA
SCHEMBL29058656 0.87 EPAS1 (0.78) EPAS1MAPTPOLBLMNAGLA
SCHEMBL29058691 0.85 EPAS1 (0.74) EPAS1MAPTPOLBLMNAALDH1A1
SCHEMBL29059158 0.85 EPAS1 (0.74) EPAS1MAPTPOLBLMNAGLA
SCHEMBL29058657 0.84 EPAS1 (1.00) EPAS1MAPTPOLBLMNAHTT
SCHEMBL29058654 0.80 EPAS1 (0.74) EPAS1MAPTPOLBLMNAGLA
SCHEMBL30396182 0.80 EPAS1 (0.74) EPAS1MAPTPOLBLMNAGLA

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