SCHEMBL14697608

SCHEMBL14697608

CNC(=O)CONC(=O)c1cc(Br)cc(Br)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL14697607 0.84 HSD17B10 (0.36) HSD17B10HDAC3HDAC4HDAC1HDAC7
SCHEMBL27953419 0.80 CREBBP (0.41) HSD17B10HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL29242839 0.75 ALDH1A1 (0.43) HSD17B10ALDH1A1MAPK1LMNAKDM4E
SCHEMBL639245 0.74 AKR1C4 (0.38) HSD17B10ALDH1A1MAPK1LMNAKDM4E
SCHEMBL14697611 0.74 KDM4E (0.38) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL640590 0.71 ALDH1A1 (0.44) HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL639100 0.71 HDAC3 (0.36) HSD17B10HDAC3HDAC1HDAC2HDAC10
SCHEMBL29562450 0.71 KDM4E (0.49) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL1119372 0.71 KDM4E (0.49) HSD17B10ALDH1A1HPGDKDM4EMAPT
SCHEMBL3211571 0.70 HSD17B10 (0.39) HSD17B10ALDH1A1MAPK1LMNAHPGD

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-2744784-A1 CARBAMOYLMETHOXY- AND CARBAMOYLMETHYLTHIO- AND CARBAMOYLMETHYLAMINO BENZAMIDES FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-06-25 EP disclosed
WO-2013024170-A1 CARBAMOYLMETHOXY- AND CARBAMOYLMETHYLTHIO- AND CARBAMOYLMETHYLAMINO BENZAMIDES FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-02-21 WO disclosed