SCHEMBL2167567

SCHEMBL2167567

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CC(N4CCOCC4)C3)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ADRA1A P35348 4/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 5/20 0.33
TP53 P04637 2/20 0.33
BTK Q06187 2/20 0.32
GAA P10253 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL2167566 0.95 ADRA1A (0.37) SMN1; SMN2LMNANPC1RAB9AADRA1A
SCHEMBL2168910 0.94 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9AADRA1A
SCHEMBL2180684 0.89 ADRA1A (0.37) SMN1; SMN2NPC1RAB9AADRA1AALDH1A1
SCHEMBL2168083 0.89 KDM5A (0.33) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL18887200 0.89 ADRA1A (0.34) SMN1; SMN2LMNANPC1RAB9AADRA1A
SCHEMBL2171193 0.88 HPGD (0.39) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2169831 0.88 HPGD (0.40) SMN1; SMN2LMNANPC1RAB9AADRA1A
SCHEMBL2168080 0.87 POLB (0.36) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL2169211 0.87 ITK (0.38) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL2201301 0.86 SMN1; SMN2 (0.40) SMN1; SMN2LMNANPC1RAB9AADRA1A

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
JP-4732354-B2 2011-07-27 JP claimed