SCHEMBL21722607

SCHEMBL21722607

Cc1cc(-c2nccnc2C(=O)O)co1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMO O15229 3/20 0.35
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
ATM Q13315 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL981000 0.73 KMT2A (0.50) KDM4EMAPTALDH1A1TSHRKMT2A
SCHEMBL984761 0.72 MCL1 (0.46) KDM4EMAPTALDH1A1KMOKMT2A
SCHEMBL2057011 0.71 KMO (0.52) KDM4EMAPTALDH1A1KMOKMT2A
SCHEMBL2408116 0.70 HCAR2 (0.43) KDM4EMAPTALDH1A1KMOTSHR
SCHEMBL3344838 0.70 KDM4E (0.44) KDM4EMAPTALDH1A1KMT2AASPH
SCHEMBL1340669 0.70 KDM4E (0.53) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL3351611 0.69 GRIN2B (0.43) KDM4EKMOASPHKDM8
SCHEMBL24485255 0.68 NAPRT (0.45) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL10419666 0.67 KDM4E (0.50) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL5775106 0.66 KMO (0.47) KDM4EMAPTALDH1A1KMOTSHR

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
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed