SCHEMBL8080016

SCHEMBL8080016

c1cc2cn[nH]c2cc1C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
APAF1 O14727 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NOS1 P29475 3/20 0.47
DYRK1A Q13627 2/20 0.47
METAP2 P50579 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
BACE1 P56817 1/20 0.46
CDC7 O00311 1/20 0.44
WEE1 P30291 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44

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
SCHEMBL14737700 0.91 NOS1 (0.52) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL22608972 0.83 KDM4E (0.47) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL25964716 0.79 FGFR1 (0.63) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL24365678 0.78 MEN1 (0.49) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL12326069 0.78 PRMT5 (0.52) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL4833473 0.77 ROCK2 (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL7138051 0.77 MAPT (0.42) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL9157501 0.73 BACE1 (0.61) MAPTKMT2ATDP1BACE1SLC6A4
SCHEMBL6837194 0.73 KDM1A (0.70) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL15554029 0.72 TLR9 (0.50) MAPTKDM4EMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040829-A3 Prokinetic agents for treating gastric hypomotility and related disorders PFIZER INC. (US) 2000-10-18 EP disclosed
EP-1040829-A2 Prokinetic agents for treating gastric hypomotility and related disorders PFIZER INC. (US) 2000-10-04 EP disclosed