SCHEMBL19147378

SCHEMBL19147378

Cc1ccc(Cn2cc(C(=O)O)c3ccccc32)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NOD2 Q9HC29 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL14584210 0.88 NPSR1 (0.58) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27956749 0.84 CPT1A (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL31693410 0.82 TP53 (0.67) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL18499262 0.80 SMN1; SMN2 (0.76) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14595187 0.80 LMNA (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14595227 0.78 POLB (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2492048 0.78 LMNA (0.64) LMNAHTTGAA
SCHEMBL14595221 0.78 CPT1A (0.60) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL19146889 0.78 MAPT (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL27956740 0.77 CPT1A (0.51) MEN1KMT2AMAPTLMNAALDH1A1

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-2017123826-A1 MAST-CELL MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-07-20 WO disclosed