SCHEMBL13201416

SCHEMBL13201416

CCc1ccc2onc(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
LMNA P02545 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
SCHEMBL1108353 0.86 TRPA1 (0.42) TRPA1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL8170902 0.80 NPC1 (0.42) TRPA1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12044601 0.79 RAB9A (0.41) TRPA1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL21257487 0.77 CSNK2A2 (0.41) TRPA1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL22419386 0.76 RAB9A (0.38) TRPA1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1759343 0.76 MAPT (0.54) TRPA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5508112 0.75 ESR1 (0.63) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL2708342 0.72 PIM1 (0.49) ALDH1A1SMN1; SMN2HTTKDM4EALOX15
SCHEMBL5513632 0.72 FAAH (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5511112 0.72 ESR1 (0.42) SMN1; SMN2MAPTTP53TDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed