SCHEMBL27894530

SCHEMBL27894530

O=C(NCCc1ccccc1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ESRRG P62508 1/20 0.56
HPGD P15428 3/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC6 Q9UBN7 3/20 0.50
MLYCD O95822 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL1820673 0.87 HPGD (0.68) HPGDKMT2AALDH1A1LMNAHDAC6
SCHEMBL15401635 0.84 LMNA (0.55) NPC1RAB9AESRRGHPGDALDH1A1
SCHEMBL13073725 0.84 NPC1 (0.66) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL2124884 0.79 NPC1 (0.59) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL330504 0.79 HSP90AA1 (0.63) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL5457565 0.78 CNR2 (0.70) NPC1RAB9AKDM4E
SCHEMBL6433682 0.77 NPC1 (0.70) NPC1RAB9AHPGDKMT2AALDH1A1
SCHEMBL3139113 0.76 ALDH1A1 (0.46) ESRRGALDH1A1KDM4ELMNA
SCHEMBL16760266 0.76 KMT2A (0.48) NPC1RAB9AHPGDKMT2ALMNA
SCHEMBL3237376 0.75 ESRRG (0.59) NPC1RAB9AESRRGHPGDALDH1A1

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-102741222-B Haloalkyl-substituted amides as insecticides and acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-02 CN disclosed
CN-102741222-A Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG 2012-10-17 CN disclosed