SCHEMBL29047646

SCHEMBL29047646

Cn1nc(C(F)(F)F)cc1NC(=O)c1ccccc1Nc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NUDT1 P36639 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 1/20 0.41
LMNA P02545 4/20 0.41
CRACR2A Q9BSW2 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPT P10636 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KCNMA1 Q12791 1/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39

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
SCHEMBL30546924 1.00 RAB9A (0.47) RAB9ANPC1HPGDSMN1; SMN2NUDT1
SCHEMBL29047697 0.90 MAPT (0.44) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL30546926 0.90 MAPT (0.44) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL30546930 0.90 LMNA (0.47) HPGDKDM4ELMNACRACR2AMAPT
SCHEMBL29047677 0.90 LMNA (0.47) HPGDKDM4ELMNACRACR2AMAPT
SCHEMBL29047686 0.90 LMNA (0.49) RAB9AKMT2ALMNACRACR2AMAPK14
SCHEMBL30546976 0.90 LMNA (0.49) RAB9AKMT2ALMNACRACR2AMAPK14
SCHEMBL29047640 0.89 TAS2R14 (0.47) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL30546938 0.89 TAS2R14 (0.47) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL30546984 0.87 MAPT (0.50) SMN1; SMN2MEN1KMT2ALMNACRACR2A

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-116535357-A Arylamino benzamide derivative containing substituted pyrazole structure, preparation method and application 西北农林科技大学 2023-08-04 CN disclosed