SCHEMBL2852633

SCHEMBL2852633

COc1ccc(-n2ncc(OC(=O)NCCc3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
FPR2 P25090 1/20 0.43
GLA P06280 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2854509 0.91 KDM4E (0.50) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2852520 0.90 TP53 (0.47) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2854586 0.90 ALDH1A1 (0.47) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2859429 0.90 NPC1 (0.46) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2854346 0.89 MAPT (0.52) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2860253 0.89 PLAAT3 (0.47) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2855547 0.88 TAAR1 (0.54) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2852556 0.86 TDP1 (0.44) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2859726 0.86 ALDH1A1 (0.46) TAAR1NPC1GAARAB9AALDH1A1
SCHEMBL2853389 0.86 NPC1 (0.62) TAAR1NPC1GAARAB9AALDH1A1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed