SCHEMBL7748111

SCHEMBL7748111

O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.83
CYP1A2 P05177 1/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C19 P33261 1/20 0.83
KDM4E B2RXH2 2/20 0.71
KCNMA1 Q12791 1/20 0.60
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SERPINE1 P05121 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
POLB P06746 1/20 0.54
GRIK1 P39086 1/20 0.53

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
SCHEMBL16127917 0.85 KDM4E (0.78) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL13885737 0.84 RAB9A (0.58) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7740936 0.84 HDAC1 (0.64) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL28652032 0.82 KCNMA1 (0.60) RAB9ACYP1A2CYP2D6CYP2C19KCNMA1
SCHEMBL3528827 0.82 MAPT (0.62) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL1091849 0.81 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
Fluoride SCHEMBL10885630 0.81 RAB9A (0.68) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL28759926 0.81 DHODH (0.63) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL29396019 0.81 RAB9A (0.56) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6170575 0.81 POLB (0.67) RAB9AKDM4EMAPTTP53SMN1; SMN2

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
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed