SCHEMBL2436480

SCHEMBL2436480

N#Cc1c(O)nsc1Nc1ccc(Br)cc1.N#Cc1c(O)nsc1Nc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MAP2K1 Q02750 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 4/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL2439673 0.93 HTT (0.49) MAPTMAP2K1USP2HTTRECQL
SCHEMBL1228956 0.93 MAPT (0.50) MAPTMAP2K1USP2HTTRECQL
SCHEMBL5941017 0.92 HTT (0.48) MAPTMAP2K1USP2HTTRECQL
SCHEMBL2436615 0.80 MAP2K1 (0.51) MAPTMAP2K1USP2HTTRECQL
SCHEMBL5941039 0.79 HTT (0.49) MAPTMAP2K1USP2HTTRECQL
SCHEMBL21917164 0.79 HTT (0.56) MAPTHTTRECQLALDH1A1LMNA
SCHEMBL5941099 0.79 HTT (0.64) MAPTMAP2K1HTTRECQLALDH1A1
SCHEMBL2440881 0.79 HTT (0.49) MAPTMAP2K1USP2HTTRECQL
SCHEMBL3527060 0.79 HTT (0.68) MAPTMAP2K1HTTRECQLALDH1A1
SCHEMBL21917354 0.78 HTT (0.43) MAPTMAP2K1USP2HTTRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed