SCHEMBL29804271

SCHEMBL29804271

COc1cc(C#N)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
EGFR P00533 1/20 0.53
AR P10275 3/20 0.51
P4HB P07237 1/20 0.51
GUSB P08236 1/20 0.49
DYRK1A Q13627 1/20 0.49
CYP19A1 P11511 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPA1 O75762 1/20 0.47
TRIM24 O15164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47

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
SCHEMBL459931 1.00 MAOB (0.55) MAOBEGFRARP4HBGUSB
SCHEMBL388024 0.84 AR (0.51) ARP4HBCYP19A1ALDH1A1CA2
Methyl Alcohol SCHEMBL27451617 0.82 AR (0.50) ARP4HBCYP19A1ALDH1A1TSHR
SCHEMBL27758486 0.81 CALM1 (0.60) ARCYP19A1ALDH1A1TDP1CA2
SCHEMBL3671816 0.81 NFE2L2 (0.67) EGFRDYRK1ATRPA1TRIM24ALDH1A1
SCHEMBL3671817 0.81 NFE2L2 (0.67) EGFRDYRK1ATRPA1TRIM24ALDH1A1
SCHEMBL29490258 0.81 AR (0.66) ARMEN1KMT2AALDH1A1HPGD
SCHEMBL509522 0.81 AR (0.66) ARMEN1KMT2AALDH1A1HPGD
SCHEMBL4669307 0.80 ALDH1A1 (0.53) EGFRARP4HBGUSBDYRK1A
SCHEMBL911154 0.80 MAOB (0.55) MAOBEGFRSLC22A6SLC22A8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583867-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2025-07-16 EP disclosed
WO-2024054622-A2 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2024-03-14 WO disclosed
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed