SCHEMBL30846519

SCHEMBL30846519

C=CC1Sc2ccccc2N1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.42
▸ MAOA P21397 1/20 0.39
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL31151816 0.81 MAOA (0.39) GSK3BMAOAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28820660 0.77 BCHE (0.39) MAOAPOLBMAPTKDM1A
SCHEMBL28820816 0.77 BCHE (0.39) MAOAPOLBMAPTKDM1A
SCHEMBL12264201 0.74 MAOA (0.46) GSK3BMAOAKMT2AALDH1A1SMN1; SMN2
SCHEMBL29814949 0.73 ERBB2 (0.37) GSK3BMAOAALDH1A1HPGD
SCHEMBL29814945 0.73 ALOX5 (0.34) MAOAKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL29815035 0.73 NFE2L2 (0.41) GSK3BMAOAKMT2AALDH1A1SMN1; SMN2
SCHEMBL29815013 0.73 APP (0.35) KMT2ASMN1; SMN2MAPT
SCHEMBL29815022 0.73 CYP19A1 (0.41) MAOAKMT2AMEN1MAPTNOX1
SCHEMBL11289317 0.73 MAOA (0.33) MAOAKMT2AALDH1A1SMN1; SMN2MEN1

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
WO-2024017247-A1 CYANINE DYE AND PREPARATION METHOD THEREFOR AND USE THEREOF, SAMPLE ANALYSIS METHOD, AND ANALYZER 深圳迈瑞生物医疗电子股份有限公司 2024-01-25 — — WO disclosed
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