SCHEMBL23753336

SCHEMBL23753336

CCN(CC)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(CC)CC)ccc1C21OC(=O)c2cc(Br)c(C(=O)O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL31430673 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL23753322 0.90 RXRA (0.39) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL31430767 0.90 RXRA (0.39) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL31430719 0.90 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL23753346 0.90 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL23753390 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL31430700 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL31430699 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL23753328 0.89 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL23753232 0.88 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E

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
US-20210255191-A1 FLUORESCENT DYE AND USE THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-08-19 — — US disclosed
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