SCHEMBL8550094

SCHEMBL8550094

CSc1ccc(/C=C/c2nc3ccccc3n2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
MAPT P10636 8/20 0.52
LMNA P02545 3/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 7/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 6/20 0.46
MEN1 O00255 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 3/20 0.45
POLB P06746 1/20 0.44
KLK7 P49862 1/20 0.44
CDK5 Q00535 1/20 0.43
PAX8 Q06710 1/20 0.43
CDK5R1 Q15078 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL8552577 1.00 TP53 (0.53) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL8550101 1.00 TP53 (0.53) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL8549398 0.90 TP53 (0.55) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL8549406 0.90 TP53 (0.55) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6587391 0.86 SMN1; SMN2 (0.57) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6582335 0.86 SMN1; SMN2 (0.57) TP53SMN1; SMN2MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL8550512 0.85 KDM4E (0.55) TP53SMN1; SMN2MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL8550521 0.85 KDM4E (0.55) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6832811 0.79 TP53 (0.51) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6832809 0.79 TP53 (0.51) TP53SMN1; SMN2MAPTLMNAKDM4E

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