SCHEMBL28840463

SCHEMBL28840463

[CH2]Cc1ccc2ccccn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 2/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
MAPK14 Q16539 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL27984758 0.84 KDM4E (0.34) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL25515658 0.78 KDM4E (0.38) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL7169853 0.78 ALDH1A1 (0.37) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL6949233 0.78 KDM4E (0.37) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL30401664 0.75 TAAR1 (0.37) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL27283340 0.75 CALM1 (0.42) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL6222799 0.74 ALDH1A1 (0.34) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL3676449 0.74 ALDH1A1 (0.34) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL3229293 0.72 AKR1B1 (0.42) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL3258935 0.71 ALOX15 (0.34) KDM4EALDH1A1MAPTCHEK1LIMK1

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-104136431-B Pyridone and pyrimidone derivatives as plasma thromboplastin antecedent a inhibitor 小野药品工业株式会社 2017-03-15 CN disclosed