SCHEMBL29195504

SCHEMBL29195504

O=[N+]([O-])c1ncc(Br)cc1OC1CC(F)(F)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.34
S1PR4 O95977 3/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30856623 1.00 EPAS1 (0.34) EPAS1S1PR4MAPTMEN1NPC1
SCHEMBL31651954 0.85 MAPT (0.35) S1PR4MAPTMEN1NPC1LMNA
SCHEMBL30856679 0.76 KMT2A (0.41) EPAS1MAPTMEN1RAB9AKMT2A
SCHEMBL29195489 0.76 KMT2A (0.41) EPAS1MAPTMEN1RAB9AKMT2A
SCHEMBL195009 0.75 MAPT (0.40) S1PR4MAPTMEN1NPC1LMNA
SCHEMBL19754794 0.75 MAPT (0.36) S1PR4MAPTMEN1NPC1LMNA
SCHEMBL31463515 0.70 CYP19A1 (0.41) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL26647353 0.70 NPC1 (0.40) S1PR4MAPTMEN1NPC1LMNA
SCHEMBL20189884 0.69 CYP1A2 (0.46) EPAS1
SCHEMBL30448458 0.69 CYP1A2 (0.46) EPAS1

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-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed