SCHEMBL5312801

SCHEMBL5312801

CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2N)CC1.CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPK1 P28482 4/20 0.52
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
VCAM1 P19320 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5AP P20292 2/20 0.46
FEN1 P39748 2/20 0.46
STAT3 P40763 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2975919 0.93 LMNA (0.57) LMNASMN1; SMN2MAPK1RAB9ATDP1
SCHEMBL2969574 0.89 ALOX5AP (0.54) SMN1; SMN2MEN1KMT2AALOX5APFEN1
SCHEMBL16501314 0.77 ALDH1A1 (0.65) LMNASMN1; SMN2MEN1KMT2AALOX5AP
SCHEMBL15660683 0.76 ALDH1A1 (0.64) LMNASMN1; SMN2MAPK1VCAM1MEN1
SCHEMBL27652442 0.73 MCOLN3 (0.49) LMNASMN1; SMN2MAPK1RAB9ATDP1
SCHEMBL2061369 0.72 PKM (0.76) LMNASMN1; SMN2VCAM1MEN1KMT2A
SCHEMBL1472314 0.72 LMNA (0.59) LMNASMN1; SMN2MAPK1RAB9ATDP1
SCHEMBL12339098 0.71 GAA (0.54) LMNASMN1; SMN2MAPK1TDP1VCAM1
SCHEMBL18455304 0.71 NFKBIA (0.49) LMNAMAPK1TDP1KMT2AALDH1A1
SCHEMBL8337970 0.71 VCAM1 (0.73) LMNARAB9AVCAM1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed