SCHEMBL22562295

SCHEMBL22562295

N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1cccc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 1/20 0.37
ALDH1A3 P47895 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL22562293 0.97 CYP11B1 (0.36) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562256 0.96 MYC (0.41) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562591 0.93 MYC (0.39) CYP11B1CYP11B2MEN1KMT2ATGFBR1
SCHEMBL22562294 0.91 CYP11B1 (0.38) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562347 0.90 CYP11B1 (0.36) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562202 0.90 ALDH1A3 (0.38) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562514 0.89 CSNK2A1 (0.38) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL19909361 0.89 MYC (0.39) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562224 0.89 ALDH1A3 (0.37) CYP11B1CYP11B2RAB9AMEN1KMT2A
SCHEMBL22562590 0.89 GABRG2 (0.40) CYP11B1CYP11B2MEN1KMT2ATGFBR1

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed