SCHEMBL5823015

SCHEMBL5823015

O=C(O)Cc1ccsc1-c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 4/20 0.45
RXFP1 Q9HBX9 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.41
LMNA P02545 3/20 0.39
PTGS1 P23219 3/20 0.39
ABCB11 O95342 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGS2 P35354 1/20 0.39
ALAD P13716 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
POLB P06746 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36

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
SCHEMBL1520751 0.84 KMT2A (0.71) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL15546606 0.83 KMT2A (0.53) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL15546178 0.80 KDM4E (0.51) KMT2ATP53ALOX15MAPK1RXFP1
SCHEMBL14646192 0.80 KMT2A (0.52) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL2120265 0.79 TP53 (0.42) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL14646244 0.78 KMT2A (0.48) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL15546043 0.76 KMT2A (0.46) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL14646143 0.76 KMT2A (0.46) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL5057664 0.75 KMT2A (0.46) KMT2ATP53ALOX15MAPK1MAPT
SCHEMBL14646123 0.75 KMT2A (0.45) KMT2ATP53ALOX15MAPK1MAPT

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-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO disclosed