SCHEMBL3633929

SCHEMBL3633929

COc1ccccc1NC(=O)c1ccc(Cl)c(Br)c1.O=C(Cl)c1ccc(Cl)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 5/20 0.58
KDM4E B2RXH2 1/20 0.58
HSP90AA1 P07900 1/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
PDE4D Q08499 1/20 0.57
AHR P35869 1/20 0.57
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52

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
SCHEMBL3337540 0.95 POLB (0.65) POLBGAAMAPTRECQLRAB9A
SCHEMBL2974551 0.78 CYP1A2 (0.62) POLBGAAMAPTRAB9AKDM4E
SCHEMBL3340353 0.77 S1PR4 (0.54) MAPTRAB9AKMT2AMEN1PDE4D
SCHEMBL30993906 0.77 S1PR4 (0.54) MAPTRAB9AKMT2AMEN1PDE4D
SCHEMBL13576585 0.76 PDE4D (0.76) POLBMAPTRAB9AKDM4EKMT2A
SCHEMBL3338770 0.76 TAS1R3 (0.53) POLBGAARAB9AKDM4EKMT2A
SCHEMBL16681360 0.76 KMT2A (0.76) POLBMAPTRAB9AKDM4EHSP90AA1
SCHEMBL8970331 0.76 MAPT (0.65) POLBGAAMAPTRECQLRAB9A
SCHEMBL1017706 0.75 NPC1 (0.64) GAAMAPTRAB9AKDM4EKMT2A
SCHEMBL12368121 0.74 SIRT2 (0.76) MAPTRAB9AKMT2AMEN1AHR

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-2155194-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2010-02-24 EP disclosed
WO-2008124610-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed