SCHEMBL8534298

SCHEMBL8534298

C=CC(=O)C(Oc1ccccc1)(C(=O)O)c1cccc(NC=NN)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
TGM2 P21980 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
STS P08842 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8429109 0.72 MEN1 (0.37) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8432262 0.70 ERCC5 (0.38) KMT2AMEN1RAB9AMAPTHTT
SCHEMBL8534258 0.69 KMT2A (0.34) KMT2AMEN1TGM2RAB9AMAPK1
SCHEMBL8429249 0.67 MAPK1 (0.33) KMT2AHTTMAPK1POLB
SCHEMBL8432441 0.66 KMT2A (0.32) KMT2AMEN1RAB9ASTSNPC1
SCHEMBL8429467 0.66 CYP1A2 (0.41) KMT2AMEN1RAB9AMAPTMAPK1
SCHEMBL8538198 0.65 CA1 (0.38) KMT2AMEN1TGM2RAB9AMAPT
SCHEMBL8532972 0.65 KMT2A (0.33) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6777725 0.65 RAB9A (0.50) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL8542579 0.65 CA1 (0.39) KMT2AMEN1TGM2RAB9AMAPT

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-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed