SCHEMBL27447584

SCHEMBL27447584

COc1cc(C=O)c(OC)nn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 11/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.37
▸ PRKDC P78527 2/20 0.37
▸ TRIM24 O15164 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HPGD P15428 1/20 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
SCHEMBL16465631 0.82 PRKDC (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3539819 0.78 ERN1 (0.40) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL28302365 0.77 ALDH1A1 (0.35) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19330363 0.73 ERN1 (0.43) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19353921 0.72 ERN1 (0.56) ERN1
SCHEMBL29957378 0.71 ERN1 (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19330147 0.71 ERN1 (0.46) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL9559282 0.71 ERN1 (0.44) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL16078300 0.71 NNMT (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL27447388 0.71 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637735-A1 DIMETHOXYPHENYL HETEROAROMATIC ALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024138032-A1 DIMETHOXYPHENYL HETEROAROMATIC ALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ENTHEOGENIX BIOSCIENCES, INC. (US) 2024-06-27 — — WO disclosed
WO-2024138032-A1 DIMETHOXYPHENYL HETEROAROMATIC ALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ENTHEOGENIX BIOSCIENCES, INC. (US) 2024-06-27 — — WO disclosed
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