SCHEMBL439785

SCHEMBL439785

Nc1c(C(=O)O)cnc2c(Cl)c(Cl)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.68
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 4/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 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
SCHEMBL437260 0.86 HAVCR2 (0.67) HAVCR2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL9654331 0.83 HAVCR2 (0.47) HAVCR2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL436716 0.81 HAVCR2 (1.00) HAVCR2ALDH1A1HTTTSHRMAPT
SCHEMBL437101 0.79 KMT2A (0.65) HAVCR2ALDH1A1HTTUSP2LMNA
SCHEMBL438820 0.78 HAVCR2 (0.39) HAVCR2ALDH1A1HTTUSP2LMNA
SCHEMBL440068 0.78 HAVCR2 (0.63) HAVCR2ALDH1A1LMNATSHRMAPT
SCHEMBL438308 0.76 HAVCR2 (0.57) HAVCR2ALDH1A1MAPTPOLBNPC1
SCHEMBL436943 0.75 HAVCR2 (0.56) HAVCR2ALDH1A1MAPTNPC1RAB9A
SCHEMBL438978 0.75 HAVCR2 (0.64) HAVCR2ALDH1A1TSHRMAPTKMT2A
SCHEMBL439981 0.74 HAVCR2 (0.55) HAVCR2ALDH1A1MAPTNPC1RAB9A

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed