SCHEMBL29940950

SCHEMBL29940950

NC(=O)c1ccccc1-c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
PARP1 P09874 1/20 0.53
KDM4E B2RXH2 5/20 0.51
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
IKBKB O14920 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL1203519 1.00 BCAT2 (0.59) BCAT2PARP1KDM4EKMT2AATM
SCHEMBL210767 0.87 BCAT2 (0.74) BCAT2PARP1KDM4EALDH1A1HSD17B10
SCHEMBL30514077 0.87 BCAT2 (0.74) BCAT2PARP1KDM4EALDH1A1HSD17B10
SCHEMBL1110181 0.84 BCAT2 (0.71) BCAT2PARP1KDM4EALDH1A1HSD17B10
SCHEMBL31012518 0.84 BCAT2 (0.71) BCAT2PARP1KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL16463881 0.84 BCAT2 (0.71) BCAT2PARP1KDM4EALDH1A1HSD17B10
SCHEMBL1437926 0.84 BCAT2 (0.55) BCAT2PARP1KDM4EKMT2AATM
SCHEMBL3834194 0.83 KDM4E (0.54) BCAT2PARP1KDM4EKMT2AATM
SCHEMBL3672928 0.83 KDM4E (0.52) BCAT2KDM4EKMT2AATMALDH1A1
SCHEMBL4238940 0.83 KDM4E (0.52) BCAT2PARP1KDM4EKMT2AATM

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
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 CN disclosed
CN-115057794-A Novel method for removing methylation of cerium-induced catalytic oxidation amide by visible light 桂林理工大学 2022-09-16 CN disclosed