SCHEMBL30436738

SCHEMBL30436738

COC(=O)[C@H](Cc1ccccc1)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
PPARD Q03181 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TACR1 P25103 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
SCHEMBL30437754 0.87 NPR3 (0.55) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL2779289 0.86 PPARG (0.53) PPARGPPARALMNAGAARAB9A
SCHEMBL2779293 0.86 PPARG (0.53) PPARGPPARALMNAGAARAB9A
SCHEMBL30437351 0.85 RECQL (0.48) PPARGPPARAPPARDALDH1A1MEN1
SCHEMBL27880853 0.84 ATM (0.60) ATMALDH1A1LMNATHRBCYP2C9
SCHEMBL5608490 0.83 FPR2 (0.62) ATMPPARGPPARAALDH1A1MEN1
SCHEMBL15577702 0.83 FCER2 (0.53) PPARGPPARAPPARDMEN1LMNA
SCHEMBL5608495 0.83 FPR2 (0.62) ATMPPARGPPARAALDH1A1MEN1
SCHEMBL5608554 0.82 IDO1 (0.56) ATMALDH1A1MEN1LMNAKMT2A
SCHEMBL5608557 0.82 IDO1 (0.56) ATMALDH1A1MEN1LMNAKMT2A

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-116253648-A Synthesis method of aromatic amine compound without metal participation 西安交通大学 2023-06-13 CN disclosed