SCHEMBL23964356

SCHEMBL23964356

COc1ccc2cc(CC#N)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.49
CA2 P00918 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
FLT3 P36888 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
IDH1 O75874 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AHR P35869 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GFER P55789 2/20 0.40

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
SCHEMBL9678793 0.88 LOXL2 (0.65) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL5240839 0.80 MTNR1A (0.57) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL30920584 0.79 LOXL2 (0.76) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL22077861 0.79 MTNR1A (0.59) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL23501875 0.79 LOXL2 (0.76) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL18292206 0.77 CA2 (0.51) MTNR1AMTNR1BCA2KMT2AMEN1
SCHEMBL4568035 0.76 MTNR1A (0.53) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL11358126 0.76 MTNR1A (0.60) MTNR1AMTNR1BLOXL2CA2KMT2A
SCHEMBL18766370 0.76 DAO (0.44) FLT3AHRITKKDM4E
SCHEMBL23915892 0.75 MTNR1A (0.56) MTNR1AMTNR1BLOXL2CA2KMT2A

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
WO-2021216665-A9 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-12-02 WO disclosed
WO-2021216665-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2021-10-28 WO disclosed