SCHEMBL31456009

SCHEMBL31456009

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.36
▸ CYP1B1 Q16678 3/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ EGFR P00533 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ ABL2 P42684 1/20 0.34
▸ CYP3A4 P08684 3/20 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
SCHEMBL31456003 0.84 PRKDC (0.38) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL27002168 0.84 PRKDC (0.44) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL31456031 0.80 MAPT (0.44) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL21822926 0.76 PRKDC (0.56) CYP1A1CYP1B1NOTUMMAPTLMNA
SCHEMBL10783323 0.75 ALDH1A1 (0.40) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL10783326 0.75 ALDH1A1 (0.40) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL6307254 0.74 TNFRSF1A (0.45) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL6307259 0.74 TNFRSF1A (0.45) MAPTEGFRLMNAALDH1A1SMN1; SMN2
SCHEMBL27076102 0.74 MAPT (0.42) NOTUMMAPTLMNAALDH1A1MAPK1
SCHEMBL25279357 0.74 ALDH1A1 (0.41) MAPTEGFRLMNAALDH1A1SMN1; 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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