SCHEMBL6805636

SCHEMBL6805636

N#CCNc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
ALOX12 P18054 1/20 0.48
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 7/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4A O75164 1/20 0.38
KDM4C Q9H3R0 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
SCHEMBL728548 0.84 MAPT (0.41) MAPTKDM4EALDH1A1CA12CA2
SCHEMBL10498975 0.80 MAPT (0.46) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL3486863 0.79 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL31678986 0.79 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL1826516 0.77 MAPT (0.61) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL1368372 0.76 IDO1 (0.59) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL2863138 0.75 MAPT (0.44) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL9396474 0.75 MAPT (0.42) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL15486368 0.75 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL9511988 0.75 L3MBTL1 (0.46) KDM4EALDH1A1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524407-A 2-fluorine-3-pyridine formyl compounds UNIV QINGDAO AGRICULTURAL 2014-01-22 CN disclosed
US-20040014166-A1 Rise of temperature of reaction using a microbial catalyst is controlled to produce substance at a fixed rate; producing a-hydroxy acid ammonium salts NIPPON SODA CO., LTD. (JP) 2004-01-22 US disclosed
EP-1352964-A1 PROCESS FOR PRODUCING SUBSTANCE BY USING MICROBIAL CATALYST NIPPON SODA CO., LTD. (JP) 2003-10-15 EP disclosed