SCHEMBL28851995

SCHEMBL28851995

Nc1cccc(C(=O)NCc2ccco2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.71
HPGD P15428 4/20 0.71
MAPT P10636 3/20 0.63
NPC1 O15118 2/20 0.63
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4C Q9H3R0 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.59
RECQL P46063 1/20 0.59
USP2 O75604 1/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.57

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
SCHEMBL31396762 1.00 POLB (0.71) POLBHPGDMAPTNPC1TSHR
SCHEMBL14520778 0.88 ALDH1A1 (0.63) POLBHPGDMAPTNPC1TSHR
SCHEMBL13212973 0.84 TDP1 (0.73) POLBHPGDMAPTNPC1TSHR
SCHEMBL12756960 0.83 POLB (1.00) POLBHPGDMAPTNPC1TSHR
SCHEMBL5524723 0.83 HPGD (0.67) POLBHPGDMAPTNPC1TSHR
SCHEMBL29818022 0.83 POLB (0.71) POLBHPGDMAPTNPC1TSHR
SCHEMBL1490952 0.82 HPGD (0.76) POLBHPGDMAPTNPC1TSHR
SCHEMBL14117292 0.81 POLB (0.71) POLBHPGDMAPTNPC1TSHR
SCHEMBL1291842 0.81 HPGD (0.71) POLBHPGDMAPTNPC1TSHR
SCHEMBL14093040 0.80 POLB (0.77) POLBHPGDMAPTNPC1TSHR

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
CN-107226785-B Adamantane styrenic derivatives and its preparation method and application 长春工业大学 2019-08-30 CN disclosed
CN-107226785-A Adamantane styrenic derivatives and its preparation method and application 长春工业大学 2017-10-03 CN disclosed