SCHEMBL9470575

SCHEMBL9470575

O=C(c1ccncc1)c1ccc2[nH]c(=O)[se]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
CHEK2 O96017 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NAPRT Q6XQN6 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ABL1 P00519 1/20 0.34
FABP6 P51161 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
UCHL1 P09936 1/20 0.33

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
SCHEMBL9470747 0.85 ATM (0.47) KMT2AMEN1L3MBTL1POLBSMN1; SMN2
SCHEMBL9470246 0.83 MAP2K1 (0.47) ALDH1A1HPGDGAA
SCHEMBL5465671 0.79 TDP1 (0.50) LMNAKMT2AMEN1L3MBTL1POLB
SCHEMBL9469729 0.74 TOP2A (0.51) CHEK2POLBSMN1; SMN2ALDH1A1HPGD
SCHEMBL9469937 0.71 ALDH1A1 (0.44) LMNAKMT2AMEN1NPSR1ALDH1A1
SCHEMBL9470518 0.71 HSD17B3 (0.44) KMT2AMEN1L3MBTL1NPSR1POLB
SCHEMBL725064 0.69 KMT2A (0.80) LTA4HLMNAKMT2AMEN1L3MBTL1
SCHEMBL14565094 0.68 PDE3B (0.60) LTA4HLMNAKMT2AMEN1CHEK2
SCHEMBL12551313 0.67 KMT2A (0.70) LTA4HLMNAKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL28795867 0.67 KMT2A (0.76) LTA4HLMNAKMT2AMEN1L3MBTL1

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-5246951-A Nonsteroidal antiinflammatory agents ADIR ET COMPAGNIE (FR) 1993-09-21 US disclosed