SCHEMBL25397604

SCHEMBL25397604

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(CCC(=O)OCc1ccccc1)C(=O)c1cc2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.35
▸ MAOB P27338 6/20 0.35
▸ MAOA P21397 4/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL26322894 0.95 KMT2A (0.42) KMT2AMEN1POLBNPC1MAOB
SCHEMBL30536660 0.86 ALDH1A1 (0.38) KMT2ANPC1MAOBMAOATP53
SCHEMBL25396755 0.86 ALDH1A1 (0.38) KMT2ANPC1MAOBMAOATP53
SCHEMBL26531168 0.83 KMT2A (0.39) KMT2AMEN1POLBNPC1MAOB
SCHEMBL26322247 0.81 ALDH1A1 (0.41) KMT2ANPC1MAOBMAOATP53
SCHEMBL26531158 0.78 KMT2A (0.38) KMT2AMEN1POLBNPC1MAOB
SCHEMBL26531194 0.78 KMT2A (0.37) KMT2AMEN1POLBNPC1MAOB
SCHEMBL26322248 0.69 ALDH1A1 (0.45) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL15158802 0.67 ALDH1A1 (0.53) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8777321 0.67 ALDH1A1 (0.53) KMT2AMEN1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 — — US disclosed
US-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 — — US disclosed
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