SCHEMBL2854779

SCHEMBL2854779

Cc1c(OC(=O)NC2CCN(c3cccc(C(F)(F)F)c3)C2)cnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.49
NOTUM Q6P988 1/20 0.48
PHGDH O43175 2/20 0.44
CASR P41180 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
LMNA P02545 4/20 0.42
ACACB O00763 2/20 0.42
SLC6A9 P48067 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
CCR1 P32246 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL2857649 0.89 NOTUM (0.51) NOTUMCASRACACB
SCHEMBL2854450 0.84 CHRM4 (0.46) NOTUMCASR
SCHEMBL23387213 0.79 NOTUM (0.67) NOTUMPHGDHCASRPTGDR2LMNA
SCHEMBL23387210 0.79 NOTUM (0.67) NOTUMPHGDHCASRPTGDR2LMNA
SCHEMBL29689683 0.77 NOTUM (0.57) NOTUMPHGDHCASRPTGDR2LMNA
SCHEMBL22499987 0.77 NOTUM (0.57) NOTUMPHGDHCASRPTGDR2LMNA
SCHEMBL2854225 0.75 CCR1 (0.60) CCR1
SCHEMBL14989237 0.74 MAPK13 (0.44) LMNAMAPK1
SCHEMBL2855614 0.71 CCR1 (0.50) CCR1
SCHEMBL17269741 0.71 CCR2 (0.62) SMO

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