SCHEMBL2854348

SCHEMBL2854348

Cc1c(OC(=O)Nc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.54
NPC1 O15118 13/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 3/20 0.53
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 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
SCHEMBL2848335 0.91 ATM (0.54) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2850131 0.90 RAB9A (0.61) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2852507 0.90 NPC1 (0.51) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2857953 0.89 RAB9A (0.50) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2853257 0.88 MAPT (0.53) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2857182 0.85 RAB9A (0.48) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2854815 0.84 MEN1 (0.50) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL6204868 0.83 MAPK1 (0.58) RAB9ANPC1MAPTHPGDPKM
SCHEMBL1195017 0.81 MAPK1 (0.60) RAB9ANPC1MAPTHPGDPKM
SCHEMBL2856997 0.81 ALDH1A1 (0.57) RAB9AMAPTPKMMAPK1POLB

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