SCHEMBL5214482

SCHEMBL5214482

O=C(NCCc1ccc(Br)cc1)c1ccncc1C(=O)NCCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.45
SYK P43405 1/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL11040166 0.85 RAB9A (0.66) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL5093704 0.78 KMT2A (0.53) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL3266236 0.76 KDM6B (0.62) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL15295273 0.75 KDM4C (0.78)
Hydrochloric Acid SCHEMBL15286677 0.74 KDM4C (0.76)
SCHEMBL448129 0.73 KDR (0.59) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL13116576 0.73 MAPK1 (0.50) ALDH1A1KMT2AMEN1LMNA
SCHEMBL25303812 0.72 CNR1 (0.66) SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL13986961 0.72 GSK3B (0.55) SMN1; SMN2HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL28291764 0.71 TNKS (0.47) ALDH1A1MAPTRAB9ANPC1LMNA

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-1362033-B1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2007-04-04 EP claimed