SCHEMBL21740126

SCHEMBL21740126

O=C(O)c1cc2ccccc2cc1NCCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ACP1 P24666 2/20 0.50
RAB9A P51151 1/20 0.50
SMARCA2 P51531 1/20 0.50
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD3 P35462 1/20 0.48
GFER P55789 1/20 0.48
NGLY1 Q96IV0 1/20 0.48
PTPN1 P18031 1/20 0.47
METAP2 P50579 1/20 0.45

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
SCHEMBL4928911 0.82 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDL3MBTL1
SCHEMBL11465415 0.74 DRD3 (0.51) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL21712312 0.74 DRD2 (0.57) KDM4EALDH1A1MEN1POLBKMT2A
SCHEMBL8350584 0.74 MAPT (0.62) MAPTKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6201353 0.74 MEN1 (0.42) ACP1RAB9ASMARCA2MEN1POLB
SCHEMBL21741610 0.73 KDM4E (0.62) MAPTKDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL21741655 0.72 KDM4E (0.48) KDM4EALDH1A1RAB9AHRH3
SCHEMBL4931903 0.71 ADRA1A (0.54) MAPTKDM4EALDH1A1RAB9AMEN1
SCHEMBL10801291 0.71 KDM4E (0.65) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8877516 0.71 KMT2A (0.45) MAPTALDH1A1RAB9AMEN1POLB

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-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed