SCHEMBL2850323

SCHEMBL2850323

COc1ccc(-n2ncc(OC(=O)NCCc3ccccc3C)c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.44
SMO Q99835 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1B P49286 1/20 0.40
FAAH O00519 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL2861634 0.91 RAB9A (0.44) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2858680 0.90 NPC1 (0.45) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2860652 0.88 POLB (0.44) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2853389 0.88 NPC1 (0.62) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2851589 0.84 MTNR1A (0.48) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL2856862 0.83 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2858580 0.83 HIF1A (0.43) MAPTNPC1RAB9ATAAR1FAAH
SCHEMBL2857343 0.83 P2RX7 (0.42) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL2861643 0.82 CNR1 (0.50) NPC1RAB9ASMN1; SMN2TAAR1GAA
SCHEMBL2857338 0.82 RAB9A (0.47) MAPTNPC1RAB9ASMN1; SMN2NFKB1

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