SCHEMBL31455974

SCHEMBL31455974

CC/C(=C\c1cc(Cl)c(Br)cc1OC)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ PRKDC P78527 2/20 0.36
▸ DPP4 P27487 5/20 0.35
▸ PREP P48147 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL27188085 0.88 PRKDC (0.41) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL27188081 0.88 PRKDC (0.41) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL30852319 0.85 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL27187311 0.85 MAPT (0.40) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL27187308 0.85 MAPT (0.40) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL31456031 0.84 MAPT (0.44) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL31455980 0.82 HMGCR (0.39) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL11739586 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL27187256 0.80 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHPGDRAB9A
SCHEMBL27187259 0.80 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHPGDRAB9A

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
WO-2025059373-A1 NOVEL PHENALKYLAMINES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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