SCHEMBL2168083

SCHEMBL2168083

CN1C2CCC1CN(c1ccc(N(CC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC43)C(=O)c3cccs3)cn1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 3/20 0.32
ALOX15 P16050 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 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
SCHEMBL2169831 0.90 HPGD (0.40) POLBMAPTLMNATP53HPGD
SCHEMBL2171193 0.89 HPGD (0.39) POLBMAPTLMNATP53HPGD
SCHEMBL2180684 0.89 ADRA1A (0.37) HPGDNPC1ALDH1A1RAB9AMAPK1
SCHEMBL2167567 0.89 SMN1; SMN2 (0.36) POLBMAPTLMNATP53HPGD
SCHEMBL2167682 0.88 HPGD (0.38) POLBMAPTLMNATP53HPGD
SCHEMBL2168080 0.88 POLB (0.36) KDM5APOLBMAPTLMNATP53
SCHEMBL2168910 0.88 SMN1; SMN2 (0.42) POLBMAPTLMNATP53HPGD
SCHEMBL2169211 0.88 ITK (0.38) POLBMAPTLMNATP53HPGD
SCHEMBL2169080 0.87 MCHR1 (0.37) POLBMAPTHPGDMEN1KMT2A
SCHEMBL2167566 0.87 ADRA1A (0.37) MAPTLMNAHPGDNPC1ALDH1A1

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