SCHEMBL29033901

SCHEMBL29033901

CC(NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.47
PRKD1 Q15139 4/20 0.46
PHGDH O43175 1/20 0.44
PDE2A O00408 3/20 0.43
PPARG P37231 2/20 0.43
PTGER4 P35408 3/20 0.42
BRAF P15056 1/20 0.42
ACR P10323 1/20 0.42
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29033904 0.92 RAF1 (0.57) RAF1PRKD1PHGDHPDE2APPARG
SCHEMBL29033887 0.91 BCHE (0.48) RAF1PRKD1PDE2APPARGPTGER4
SCHEMBL29033894 0.89 MAPT (0.53) RAF1PRKD1PHGDHPDE2AKDM4E
SCHEMBL29033888 0.83 PHGDH (0.45) PRKD1PHGDHKDR
SCHEMBL29033874 0.82 BCHE (0.48) PRKD1PHGDHPDE2AKDRMAPT
SCHEMBL29033882 0.80 MAPT (0.54) PRKD1PHGDHKDM4EMAPTNPSR1
SCHEMBL25262291 0.80 ABL1 (0.49) RAF1PRKD1MAPT
SCHEMBL29033886 0.77 PRKD1 (0.48) PRKD1PHGDHKDR
SCHEMBL25308786 0.73 MAPT (0.57) RAF1PRKD1BRAFMAPT
SCHEMBL29033909 0.71 RAB9A (0.55) PRKD1PHGDHKDM4EMAPTNPSR1

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-114394934-B Pyrazole benzamide compound as well as preparation method and application thereof 苏州大学 2023-06-13 CN disclosed
CN-114394934-A Pyrazole benzamide compound and preparation method and application thereof 苏州大学 2022-04-26 CN disclosed