SCHEMBL26416602

SCHEMBL26416602

Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 1/20 0.66
RAB9A P51151 1/20 0.66
PTGS1 P23219 7/20 0.54
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C9 P11712 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL29996855 1.00 CYP1A2 (0.66) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL14972697 0.98 CYP1A2 (0.64) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL30319935 0.94 PTGS1 (0.64) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL28255136 0.94 CYP1A2 (0.59) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL3528827 0.92 MAPT (0.62) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL26416461 0.92 MAPT (0.66) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL28908365 0.86 PTGS1 (0.54) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL21391974 0.86 PTGS1 (0.52) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL30279461 0.86 PTGS1 (0.52) CYP1A2CYP2C19CYP2D6RAB9APTGS1
SCHEMBL24203628 0.86 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6RAB9APTGS1

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
US-20230125363-A1 Polyamideimide Precursor, Polyamideimide Prepared Therefrom, and Polyamideimide Film Including the Same SK IE TECHNOLOGY CO., LTD. (KR) 2023-04-27 US disclosed