SCHEMBL23915892

SCHEMBL23915892

COc1ccc2cc(CN=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.56
MTNR1B P49286 2/20 0.56
CA2 P00918 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
FLT3 P36888 3/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5240839 0.80 MTNR1A (0.57) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL30920584 0.79 LOXL2 (0.76) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL22077861 0.79 MTNR1A (0.59) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL23501875 0.79 LOXL2 (0.76) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL11358126 0.76 MTNR1A (0.60) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL4568035 0.76 MTNR1A (0.53) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL24152675 0.76 AHR (0.39) LOXL2HRH4AHR
SCHEMBL23964356 0.75 MTNR1A (0.52) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL28929782 0.74 MTNR1A (0.57) MTNR1AMTNR1BCA2LOXL2FLT3
SCHEMBL6989977 0.72 CYP1A2 (0.50) MTNR1AMTNR1BCA2LOXL2FLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed