SCHEMBL9453585

SCHEMBL9453585

COC(=O)CC(C)=NOCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CA1 P00915 2/20 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
SCHEMBL9453573 0.84 TSHR (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL25923625 0.77 L3MBTL1 (0.50) ALDH1A1RAB9ANPC1MAOAMAOB
SCHEMBL27972311 0.76 MEN1 (0.52) ALDH1A1RAB9ANPC1MAOAMAOB
SCHEMBL9453572 0.74 HIF1A (0.44) ALDH1A1RAB9ANPC1MAOAMAOB
SCHEMBL15504888 0.74 HTT (0.50) ALDH1A1RAB9ANPC1MAPTPPARG
SCHEMBL15504893 0.73 S1PR1 (0.47) ALDH1A1RAB9ANPC1MAOBMAPT
SCHEMBL1154850 0.72 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1MAOAMAOB
SCHEMBL6507732 0.72 RAB9A (0.47) ALDH1A1RAB9ANPC1MAOAMAOB
SCHEMBL11958018 0.72 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL9899083 0.71 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1MAOBL3MBTL1

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-5241101-A Plant fungicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed