SCHEMBL7740936

SCHEMBL7740936

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

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.64
RAB9A P51151 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KCNK3 O14649 3/20 0.51
KCNK9 Q9NPC2 2/20 0.51
P2RX1 P51575 1/20 0.51
HDAC2 Q92769 2/20 0.51
KDM4E B2RXH2 1/20 0.50
KCNK2 O95069 1/20 0.50

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
SCHEMBL13885737 0.85 RAB9A (0.58) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL7748111 0.84 RAB9A (0.83) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL28652032 0.84 KCNMA1 (0.60) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL3528827 0.84 MAPT (0.62) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL29396019 0.82 RAB9A (0.56) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL6170575 0.82 POLB (0.67) HDAC1RAB9AHDAC8HDAC6MEN1
SCHEMBL30008296 0.82 POLB (0.67) HDAC1RAB9AHDAC8HDAC6MEN1
SCHEMBL6588596 0.81 HDAC1 (0.77) HDAC1RAB9ACYP1A2CYP2C19MEN1
SCHEMBL2755850 0.81 KIF11 (0.51) HDAC1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL30369924 0.81 HDAC1 (0.77) HDAC1RAB9ACYP1A2CYP2C19MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 CN disclosed
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