SCHEMBL22562593

SCHEMBL22562593

Cc1ccc2c3ccc(C)cc3n(-c3cc(-c4cccc(-c5ccccc5)n4)c(C(F)(F)F)cc3-n3c4cc(C)ccc4c4ccc(C)cc43)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
MAPT P10636 4/20 0.36
CYP11B1 P15538 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
NR1I2 O75469 1/20 0.34
EGFR P00533 1/20 0.34
ADRA2A P08913 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS2 P35354 1/20 0.34
OPRD1 P41143 1/20 0.34
PDE4D Q08499 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
SCHEMBL22562596 0.97 CYP11B2 (0.35) CYP11B2MAPTCYP11B1MEN1KMT2A
SCHEMBL22562594 0.91 ALDH1A1 (0.37) CYP11B2MAPTCYP11B1MEN1KMT2A
SCHEMBL22562592 0.90 PTGDR2 (0.35) CYP11B2MAPTCYP11B1MEN1KMT2A
SCHEMBL22562290 0.89 CYP11B2 (0.41) CYP11B2CYP11B1MEN1KMT2ARAB9A
SCHEMBL22562410 0.88 MAT2A (0.39) CYP11B2MAPTMEN1KMT2ARAB9A
SCHEMBL22562626 0.87 AR (0.39) CYP11B2MEN1KMT2ARAB9AHSD11B1
SCHEMBL22562457 0.87 CYP11B2 (0.36) CYP11B2MEN1KMT2ARAB9AALDH1A1
SCHEMBL22562500 0.85 CYP11B2 (0.36) CYP11B2CYP11B1MEN1KMT2ARAB9A
SCHEMBL22562411 0.85 ACP1 (0.39) CYP11B2MEN1KMT2ARAB9AHSD11B1
SCHEMBL22562413 0.85 KIF11 (0.41) CYP11B2MAPTMEN1KMT2ARAB9A

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