SCHEMBL8461237

SCHEMBL8461237

O=C(O)c1ccc(N=Nc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.72
▸ KMO O15229 1/20 0.55
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TRIM24 O15164 1/20 0.50
▸ TRIM33 Q9UPN9 1/20 0.50
▸ CD69 Q07108 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ RXRA P19793 3/20 0.49
▸ RXRB P28702 3/20 0.49
▸ RXRG P48443 1/20 0.49
▸ BCL2 P10415 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL8461235 1.00 TRPA1 (0.72) TRPA1KMOMEN1KMT2ANPC1
SCHEMBL29200293 0.87 TRPA1 (0.88) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL384410 0.85 TRPA1 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL3361521 0.85 TRPA1 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL168297 0.85 TRPA1 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL20307199 0.85 TRPA1 (1.00) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL2229324 0.83 TRPA1 (0.95) TRPA1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5067542 0.83 TRPA1 (0.95) TRPA1MEN1KMT2ANPC1RAB9A
SCHEMBL7708935 0.82 MAPT (0.60) TRPA1KMOMEN1KMT2ANPC1
SCHEMBL7708937 0.82 MAPT (0.60) TRPA1KMOMEN1KMT2ANPC1

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
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 — — WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 — — EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 — — WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 — — US disclosed
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