SCHEMBL2918002

SCHEMBL2918002

COc1ccccc1C(=O)NC(C1(c2cccc(F)c2)CCNCC1)S(=O)(=O)N(N)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 2/20 0.38
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
CCR8 P51685 1/20 0.34
CASP3 P42574 1/20 0.34
KCNA3 P22001 3/20 0.34
MAPK1 P28482 2/20 0.34
CTSD P07339 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2473766 0.88 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2465586 0.88 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2470113 0.85 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2467688 0.84 KDM4E (0.44) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2465785 0.84 GAA (0.40) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2472224 0.83 NPC1 (0.37) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL6358742 0.82 RAB9A (0.41) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2469920 0.82 GAA (0.41) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2913904 0.81 KCNA3 (0.41) SMN1; SMN2RAB9ANPC1LMNAPKM
SCHEMBL2470303 0.80 NPC1 (0.39) SMN1; SMN2RAB9ANPC1LMNAPKM

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-1841741-B1 PIPERIDINE DERIVATIVES AS PRODRUGS OF POTASSIUM CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-08 EP claimed