SCHEMBL28320310

SCHEMBL28320310

NCc1ccc(Nc2cc(Nc3ccc(CN)cc3)cc(Nc3ccc(CN)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
LOXL2 Q9Y4K0 6/20 0.46
ABAT P80404 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ST14 Q9Y5Y6 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
BRD4 O60885 1/20 0.39
BPTF Q12830 1/20 0.39
TPSAB1 Q15661 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KLKB1 P03952 1/20 0.39
PLAU P00749 1/20 0.39
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL258907 0.92 HRH3 (0.55) HRH3LOXL2ABATALDH1A1ST14
SCHEMBL1459020 0.90 HRH3 (0.52) HRH3LOXL2ABATALDH1A1ST14
SCHEMBL185931 0.83 ALDH1A1 (0.62) HRH3LOXL2MEN1ALDH1A1AR
SCHEMBL28406911 0.83 LOXL2 (0.71) HRH3LOXL2ABATMEN1ALDH1A1
SCHEMBL185639 0.81 LOXL2 (0.73) HRH3LOXL2ABATTAAR1
SCHEMBL25199389 0.76 HRH3 (0.39) HRH3LOXL2ABATTAAR1BRD4
SCHEMBL186342 0.76 GAA (0.68) MEN1ALDH1A1MAPTKMT2ATAAR1
SCHEMBL13169061 0.75 TSHR (0.42) MEN1ALDH1A1ARMAPTKMT2A
SCHEMBL15828 0.74 HRH3 (0.79) HRH3LOXL2ABATMAPTST14
SCHEMBL22990410 0.74 HRH3 (0.52) HRH3LOXL2ABATST14TAAR1

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
CN-110246986-A Organic LED display device 三星显示有限公司 2019-09-17 CN disclosed