SCHEMBL2168910

SCHEMBL2168910

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA1A P35348 3/20 0.37
MAPT P10636 5/20 0.37
STAT3 P40763 1/20 0.37
CCR9 P51686 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL2167567 0.94 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2169831 0.93 HPGD (0.40) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2171193 0.93 HPGD (0.39) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2201301 0.92 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2168080 0.92 POLB (0.36) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2167566 0.92 ADRA1A (0.37) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2169211 0.91 ITK (0.38) LMNAALDH1A1HPGDPOLBKDM4E
SCHEMBL2167682 0.91 HPGD (0.38) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2167685 0.88 ADRA1A (0.33) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL2167362 0.88 HRH3 (0.41) SMN1; SMN2NPC1RAB9ALMNAALDH1A1

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