SCHEMBL8683083

SCHEMBL8683083

CCOC(=O)c1nccn1C1Cc2cc(SCc3ccccc3)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GRM2 Q14416 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8685257 0.88 MAOA (0.39) ALDH1A1GRM2MAOAMAOBPKM
SCHEMBL8683487 0.87 MAOA (0.38) ALDH1A1GRM2MAOAMAOBPKM
SCHEMBL8880656 0.82 METAP1 (0.38) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL8879965 0.82 MAPT (0.46) SMN1; SMN2ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL8880066 0.81 HRH1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL8880563 0.81 GABRG2 (0.38) SMN1; SMN2ALDH1A1TSHRLMNAKDM4E
SCHEMBL8881385 0.81 GABRG2 (0.41) SMN1; SMN2ALDH1A1L3MBTL1LMNAHTT
SCHEMBL8091069 0.80 TBXAS1 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9ANFKB1
SCHEMBL8097517 0.80 KMT2A (0.43) ALDH1A1LMNAHSD17B10TRPC5HPGD
SCHEMBL8881176 0.80 CYP19A1 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR

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-5789406-A Indeno 1,2-E!pyrazine-4-ones, their preparation and the medicaments containing them RHONE-POULENC RORER S.A. (FR) 1998-08-04 US disclosed