SCHEMBL2854511

SCHEMBL2854511

Cc1c(C(=O)NC2CCCC2)cnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.64
FPR1 P21462 1/20 0.62
CNR2 P34972 1/20 0.59
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
PKM P14618 2/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 1/20 0.58
NR3C1 P04150 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
NAMPT P43490 1/20 0.55
ROCK2 O75116 1/20 0.55
HSD11B1 P28845 1/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2079208 0.86 RAB9A (0.57) NPC1RAB9APKMHPGDMAPK1
SCHEMBL5680134 0.84 POLB (0.65) HPGDMEN1POLBKMT2ASMN1; SMN2
SCHEMBL3390165 0.83 RAB9A (0.52) NPC1RAB9APKMHPGDMAPK1
SCHEMBL3394452 0.83 RAB9A (0.52) NPC1RAB9APKMHPGDMAPK1
Hydrochloric Acid SCHEMBL5678127 0.83 POLB (0.64) HPGDMEN1POLBKMT2ASMN1; SMN2
SCHEMBL2856262 0.82 ALDH1A1 (0.59) SPRFPR1CNR2MAPK1POLB
SCHEMBL2852540 0.81 KDM4E (0.66) SPRFPR1HPGDNR3C1MEN1
SCHEMBL2856642 0.81 HPGD (0.63) NPC1RAB9APKMHPGDMAPK1
SCHEMBL20646729 0.80 ROCK2 (0.57) NPC1RAB9APKMHPGDPOLB
SCHEMBL3394457 0.79 SPR (0.68) SPRMEN1KMT2A

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 disclosed