SCHEMBL31456003

SCHEMBL31456003

COc1cc(Br)c(C)cc1/C=C(\C)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.38
▸ MAPT P10636 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ EGFR P00533 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ FBP1 P09467 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABL2 P42684 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL27002168 0.88 PRKDC (0.44) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL31456031 0.84 MAPT (0.44) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL31456009 0.84 CYP1A1 (0.36) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL25279357 0.84 ALDH1A1 (0.41) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL26472732 0.84 ALDH1A1 (0.41) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL25697852 0.84 ALDH1A1 (0.41) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL30852319 0.83 ALDH1A1 (0.38) PRKDCMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10783323 0.79 ALDH1A1 (0.40) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL10783326 0.79 ALDH1A1 (0.40) PRKDCMAPTALDH1A1EGFRLMNA
SCHEMBL6307259 0.78 TNFRSF1A (0.45) MAPTALDH1A1EGFRLMNASMN1; SMN2

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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