SCHEMBL7448049

SCHEMBL7448049

COCC(C)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL13969591 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL12658621 0.79 SMN1; SMN2 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL4569783 0.77 MAPT (0.58) ALDH1A1MAPTPKMGAA
SCHEMBL29910923 0.77 MAPT (0.58) ALDH1A1MAPTPKMGAA
SCHEMBL265030 0.74 MAPT (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL12659017 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL7428387 0.73 MAPT (0.45) ALDH1A1MAPTPKMGAAMAPK1
Hydrochloric Acid SCHEMBL265008 0.73 GAA (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL18500486 0.73 PKM (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2PKM
SCHEMBL6058476 0.72 L3MBTL1 (0.38) ALDH1A1MAPTSMN1; SMN2GAA

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
WO-1994000454-A1 BENZIMIDAZOLE COMPOUNDS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed