SCHEMBL2167682

SCHEMBL2167682

CN1CCCN(c2ccc(N(CC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC43)C(=O)c3cccs3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34

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 0.98 HPGD (0.40) HPGDALOX15SMN1; SMN2KDM4EPOLB
SCHEMBL2171193 0.95 HPGD (0.39) HPGDALOX15SMN1; SMN2KDM4EPOLB
SCHEMBL2169211 0.92 ITK (0.38) HPGDALOX15KDM4EPOLBMAPT
SCHEMBL2168080 0.91 POLB (0.36) HPGDALOX15SMN1; SMN2KDM4EPOLB
SCHEMBL2168910 0.91 SMN1; SMN2 (0.42) HPGDALOX15SMN1; SMN2KDM4EPOLB
SCHEMBL2168083 0.88 KDM5A (0.33) HPGDALOX15SMN1; SMN2KDM4EPOLB
SCHEMBL18887176 0.88 HPGD (0.36) HPGDALOX15SMN1; SMN2KDM4EMEN1
SCHEMBL2180684 0.87 ADRA1A (0.37) HPGDSMN1; SMN2ALDH1A1NPC1MAPK1
SCHEMBL2169080 0.87 MCHR1 (0.37) HPGDSMN1; SMN2KDM4EPOLBMAPT
SCHEMBL2169234 0.86 MEN1 (0.34) HPGDSMN1; SMN2KDM4EPOLBMAPT

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