SCHEMBL2850356

SCHEMBL2850356

Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.60
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
NTRK1 P04629 1/20 0.48
CYP1A2 P05177 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
SCHEMBL2855473 0.87 MAPT (0.71) GRM5MAPTSMN1; SMN2POLBMEN1
SCHEMBL26673924 0.86 GRM5 (0.64) GRM5MAPTSMN1; SMN2NPC1TSHR
SCHEMBL2856172 0.83 MAPT (0.55) GRM5MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL26673920 0.81 MAPT (0.71) GRM5MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL26674089 0.81 MAPT (0.71) GRM5MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL26855978 0.80 GRM5 (0.52) GRM5MAPTSMN1; SMN2NPC1TSHR
SCHEMBL26673874 0.80 GRM5 (0.64) GRM5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26673925 0.80 GRM5 (0.64) GRM5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2858001 0.77 GRM5 (0.70) GRM5MAPTRAB9APOLBNTRK1
SCHEMBL2854538 0.76 KDM4E (0.53) GRM5MAPTSMN1; SMN2NPC1ALDH1A1

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