SCHEMBL11639723

SCHEMBL11639723

C=CCOC(=O)c1c(O)c2ccccc2n(C2CCCC2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ LMNA P02545 2/20 0.52
▸ RECQL P46063 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 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
SCHEMBL11377355 0.85 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL5332461 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL19335453 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL11639579 0.80 RECQL (0.72) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL11640971 0.79 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL11372663 0.79 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11640249 0.78 LMNA (0.80) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL1441135 0.78 MEN1 (0.74) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL11636684 0.77 KDM4E (0.76) ALDH1A1MEN1KMT2ALMNARECQL
SCHEMBL1440437 0.77 MEN1 (0.77) ALDH1A1MEN1KMT2AKDM4EPOLB

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-4119720-A ANTIALLERGENS SANDOZ, INC. (US) 1978-10-10 — — US disclosed
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