SCHEMBL31088201

SCHEMBL31088201

O=C1C(=O)N(N[C@@H](CS)C(=O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CES1 P23141 7/20 0.44
▸ BCHE P06276 2/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ ALDH2 P05091 2/20 0.43
▸ ALDH3A1 P30838 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PARK7 Q99497 1/20 0.41
▸ CTRB1 P17538 1/20 0.40

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
SCHEMBL11360473 0.84 ALDH1A1 (0.47) MEN1KMT2AALDH1A1POLBFNTA
SCHEMBL29631981 0.72 KDM4E (0.42) FNTAFNTB
SCHEMBL6846339 0.68 CES1 (0.57) MEN1KMT2ACES1BCHETGM2
SCHEMBL7265100 0.68 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLB
SCHEMBL7272751 0.68 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLB
SCHEMBL8829463 0.67 KDM4E (0.46) ALDH1A1PKMFNTAFNTB
SCHEMBL30660068 0.67 KDM4E (0.57) MEN1KMT2AALDH1A1POLB
SCHEMBL2427953 0.67 GAA (0.52) MEN1KMT2AALDH1A1
SCHEMBL29132823 0.67 KDM4E (0.57) MEN1KMT2AALDH1A1POLB
SCHEMBL29132822 0.67 KDM4E (0.57) MEN1KMT2AALDH1A1POLB

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-4680188-A1 IMPROVED INDIGO-BASED DYE Henkel AG & Co. KGaA (DE) 2026-01-21 — — EP disclosed
EP-4680189-A1 INDIGO-BASED DYE WITH IMPROVED STABILITY AND IMPROVED DYEING PROPERTIES Henkel AG & Co. KGaA (DE) 2026-01-21 — — EP disclosed
WO-2024188836-A1 INDIGO-BASED DYE WITH IMPROVED STABILITY AND IMPROVED DYEING PROPERTIES HENKEL AG & CO. KGAA (DE) 2024-09-19 — — WO disclosed
WO-2024188835-A1 IMPROVED INDIGO-BASED DYE HENKEL AG & CO. KGAA (DE) 2024-09-19 — — WO disclosed
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