SCHEMBL3666945

SCHEMBL3666945

COc1ccccc1CNC(=O)c1cc(Br)c(Cl)cc1OCCCC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.53
ALDH1A1 P00352 7/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 2/20 0.49
RCE1 Q9Y256 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PPARG P37231 1/20 0.46
NLRP3 Q96P20 1/20 0.45
HDAC1 Q13547 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL16390991 0.80 HPGD (0.47) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL27214499 0.79 HPGD (0.60) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL3339508 0.78 GPBAR1 (0.44) TSHRLMNA
SCHEMBL16858680 0.77 HPGD (0.55) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL3337986 0.77 HPGD (0.57) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL16858682 0.73 HPGD (0.49) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL3337767 0.72 HPGD (0.44) HPGDALDH1A1GAAHTTPKM
SCHEMBL6495179 0.70 HPGD (0.67) HPGDALDH1A1GAAKMT2AHTT
SCHEMBL6356660 0.70 HPGD (0.78) HPGDALDH1A1GAAHTTPKM
SCHEMBL9567823 0.68 HSP90AA1 (0.56) HPGDALDH1A1GAAKMT2AHTT

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