SCHEMBL31456065

SCHEMBL31456065

COc1cc(/C=C(\CO)[N+](=O)[O-])c(OC)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HTR2A P28223 4/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TNFRSF1A P19438 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL27188081 0.90 PRKDC (0.41) PRKDCMAPTHTR2AALOX15HSD17B10
SCHEMBL27188085 0.90 PRKDC (0.41) PRKDCMAPTHTR2AALOX15HSD17B10
SCHEMBL27002168 0.81 PRKDC (0.44) PRKDCMAPTHTR2AALOX15HSD17B10
SCHEMBL31455992 0.80 HMGCR (0.40) PRKDCMAPTHTR2AALOX15HSD17B10
SCHEMBL30852319 0.80 ALDH1A1 (0.38) PRKDCMAPTALOX15HSD17B10TSHR
SCHEMBL31455974 0.78 ALDH1A1 (0.38) PRKDCMAPTALOX15HSD17B10ALDH1A1
SCHEMBL11739586 0.78 ALDH1A1 (0.46) PRKDCMAPTALOX15HSD17B10TSHR
SCHEMBL27002021 0.77 HTR2A (0.42) MAPTHTR2AALDH1A1KDM4ECYP3A4
SCHEMBL27187256 0.76 ALDH1A1 (0.39) PRKDCMAPTHTR2AALOX15HSD17B10
SCHEMBL27187259 0.76 ALDH1A1 (0.39) PRKDCMAPTHTR2AALOX15HSD17B10

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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