SCHEMBL31504392

SCHEMBL31504392

O=C(NCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccn3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NAMPT P43490 2/20 0.45
▸ GPR132 Q9UNW8 1/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ SMO Q99835 2/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL21617242 1.00 MEN1 (0.47) MEN1KMT2ANAMPTGPR132MAPK14
SCHEMBL31504383 0.91 GPR132 (0.44) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL21617201 0.91 GPR132 (0.44) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL21617285 0.90 HPGD (0.45) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL31504443 0.90 HPGD (0.45) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL21617237 0.89 GPR132 (0.44) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL31504406 0.89 GPR132 (0.44) MEN1KMT2AGPR132MAPK14SMO
SCHEMBL21617274 0.87 GPR132 (0.45) GPR132MAPK14SMOPARP10
SCHEMBL31504336 0.87 GPR132 (0.45) GPR132MAPK14SMOPARP10
SCHEMBL21617293 0.81 CHRM4 (0.41) MEN1KMT2AGPR132MAPK14

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-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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