SCHEMBL28294885

SCHEMBL28294885

COCCOc1cccc(C(=O)c2cccc(OCCOC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 3/20 0.57
SMPD1 P17405 3/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SRD5A2 P31213 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
STS P08842 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL10989423 0.88 MAOB (0.60) KMT2AALDH1A1MEN1
SCHEMBL1665041 0.88 KMT2A (0.73) KMT2ASMPD1NR1H4
SCHEMBL1665037 0.88 KMT2A (0.55) L3MBTL1LMNAMAPK1KMT2ASMPD1
SCHEMBL30517635 0.88 KMT2A (0.73) KMT2ASMPD1NR1H4
SCHEMBL202628 0.87 PARP1 (0.65) KMT2ASMPD1
SCHEMBL9565397 0.87 KMT2A (0.54) L3MBTL1LMNAMAPK1KMT2ASMPD1
SCHEMBL385706 0.87 RAB9A (0.59) MAPK1KMT2ASMPD1ALDH1A1MAPT
SCHEMBL30938023 0.87 PARP1 (0.65) KMT2ASMPD1
SCHEMBL30785561 0.87 KMT2A (0.54) L3MBTL1LMNAMAPK1KMT2ASMPD1
SCHEMBL24611877 0.85 KMT2A (0.56) L3MBTL1LMNAMAPK1KMT2ASMPD1

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-109890821-A Amino-pyrrolopyrimidine ketone compound and its application method 艾科尔公司 2019-06-14 CN disclosed