SCHEMBL2852952

SCHEMBL2852952

CC(C)N(c1cnc(NC(=O)Oc2cnn(-c3cccc(F)c3)c2C(F)(F)F)nc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
KEAP1 Q14145 4/20 0.35
NFE2L2 Q16236 4/20 0.35
CCR1 P32246 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
MAPK14 Q16539 1/20 0.34
HPGDS O60760 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KMT2A Q03164 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL2854500 0.89 MET (0.34) ALDH1A1KEAP1NFE2L2CCR1KDM4E
SCHEMBL2850621 0.84 MAPT (0.38) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL2855950 0.78 POLB (0.41) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL2855716 0.78 KEAP1 (0.46) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL2856128 0.76 GRM5 (0.46) ALDH1A1POLBKEAP1NFE2L2RAB9A
SCHEMBL2850733 0.76 KEAP1 (0.46) KEAP1NFE2L2KMT2A
SCHEMBL2854269 0.74 RAB9A (0.46) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL2848489 0.72 POLB (0.44) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL2852941 0.72 POLB (0.44) SMN1; SMN2ALDH1A1LMNAHTTPOLB
SCHEMBL2854572 0.72 RAB9A (0.44) SMN1; SMN2CCR1NPC1RAB9AKDM4E

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