SCHEMBL8549398

SCHEMBL8549398

CSc1ccc(/C=C/c2nc3ccccc3n2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.55
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
KMT2A Q03164 4/20 0.52
PKM P14618 3/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 7/20 0.49
GLA P06280 6/20 0.49
HPGD P15428 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KLK7 P49862 1/20 0.47

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
SCHEMBL8549406 1.00 TP53 (0.55) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8552577 0.90 TP53 (0.53) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8550094 0.90 TP53 (0.53) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8550101 0.90 TP53 (0.53) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6583386 0.86 KDM4E (0.64) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8550750 0.86 KDM4E (0.64) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6583378 0.86 KDM4E (0.64) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6832809 0.83 TP53 (0.51) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6832811 0.83 TP53 (0.51) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL6587391 0.82 SMN1; SMN2 (0.57) TP53MAPTSMN1; SMN2KDM4EALDH1A1

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
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed