SCHEMBL29486100

SCHEMBL29486100

O=C(c1cccc(Br)c1Cl)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
PHGDH O43175 1/20 0.50
ERN1 O75460 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL28746378 1.00 GAA (0.52) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL20516441 0.86 HPGD (0.56) GAASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL20516437 0.84 HPGD (0.58) GAASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1663182 0.84 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL31661720 0.84 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL2375485 0.82 ALDH1A1 (0.55) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL2376795 0.82 HPGD (0.53) GAASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL28856992 0.79 SMN1; SMN2 (0.50) GAASMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL7121916 0.78 SMN1; SMN2 (0.77) GAASMN1; SMN2ALDH1A1TP53KMT2A
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.78 MGLL (0.68) GAASMN1; SMN2KDM4EALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423741-B aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2023-11-07 CN disclosed
CN-114423741-A aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2022-04-29 CN disclosed