SCHEMBL22562287

SCHEMBL22562287

FC(F)(F)c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 4/20 0.34
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
NT5E P21589 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32
TRPA1 O75762 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NTSR1 P30989 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL22562329 0.97 CYP11B2 (0.36) CYP11B2LMNAPOLBMEN1KMT2A
SCHEMBL22562496 0.92 CYP11B2 (0.40) CYP11B2MEN1KMT2AHPGDRAB9A
SCHEMBL22562321 0.92 CYP11B2 (0.35) CYP11B2LMNAPOLBMEN1KMT2A
SCHEMBL22562491 0.89 CYP11B2 (0.38) CYP11B2MEN1KMT2AHPGDRAB9A
SCHEMBL22562421 0.88 MAPT (0.39) CYP11B2POLBMEN1KMT2AALDH1A1
SCHEMBL22562426 0.87 CYP11B2 (0.36) CYP11B2MEN1KMT2AMAPTRAB9A
SCHEMBL22562332 0.86 ALDH1A3 (0.36) CYP11B2ALDH1A1HPGDKDM4E
SCHEMBL22156001 0.85 TRPA1 (0.35) CYP11B2LMNAPOLBACHENT5E
SCHEMBL22157342 0.84 ACHE (0.40) CYP11B2MEN1KMT2AHPGDRAB9A
SCHEMBL22562492 0.84 CYP11B2 (0.40) CYP11B2MEN1KMT2ARAB9AACHE

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