SCHEMBL22334942

SCHEMBL22334942

C=N/C(=C\[C@@H](C)S)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ XBP1 P17861 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30

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
SCHEMBL19300441 0.76 AKT1 (0.38) MAPTATMLMNAAKT1ALDH1A1
SCHEMBL22988641 0.73 KMT2A (0.37) MAPTXBP1ATMLMNASMN1; SMN2
SCHEMBL21253891 0.70 AKT1 (0.37) ATMAKT1ALDH1A1
SCHEMBL19046658 0.70 AKT1 (0.37) MAPTPOLBAKT1ALDH1A1L3MBTL1
SCHEMBL22071486 0.69 CES2 (0.34) MAPTATMLMNASMN1; SMN2POLB
SCHEMBL23183270 0.69 ATM (0.41) MAPTATMLMNANPSR1AKT1
SCHEMBL24975608 0.69 AKT1 (0.33) ATMAKT1ALDH1A1
SCHEMBL13808632 0.69 ALDH1A1 (0.34) MAPTATMLMNASMN1; SMN2NPSR1
SCHEMBL24884816 0.68 AKT1 (0.35) MAPTXBP1ATMLMNASMN1; SMN2
SCHEMBL20625867 0.68 MEN1 (0.32) ATMLMNAAKT1CA12CA1

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
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 — — EP disclosed
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