SCHEMBL5332950

SCHEMBL5332950

O=C(OC1CCCC1)C1=C2NCCCC2CC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP9 P14780 3/20 0.36
MMP12 P39900 3/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
STS P08842 4/20 0.33
CYP19A1 P11511 3/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 2/20 0.32
PLAT P00750 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
SCHEMBL5332473 0.80 LMNA (0.35) MEN1KMT2AADRA1AALDH1A1LMNA
SCHEMBL3125735 0.78 PARP1 (0.33) MEN1KMT2AALDH1A1MAPT
SCHEMBL1422923 0.72 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL21410155 0.71
Ammonia Solution, Strong SCHEMBL3267923 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6444310 0.69
Hydrochloric Acid SCHEMBL7437008 0.67 CDC7 (0.33)
SCHEMBL828645 0.64 NPC1 (0.54) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL3361977 0.61 MEN1 (0.55) MEN1NPC1RAB9AKMT2AMMP9
SCHEMBL343297 0.60 SERPINE1 (0.62) MEN1NPC1RAB9AKMT2AMMP9

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
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 WO disclosed