SCHEMBL23679174

SCHEMBL23679174

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
MET P08581 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32
DHODH Q02127 1/20 0.31
PIK3CA P42336 1/20 0.31
PPARG P37231 1/20 0.31
S1PR1 P21453 1/20 0.31
ABCG2 Q9UNQ0 4/20 0.31
TDP1 Q9NUW8 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
ICMT O60725 1/20 0.30
GSR P00390 1/20 0.30

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
SCHEMBL23679176 0.94 LMNA (0.35) METNR3C1PGRLMNAPOLB
SCHEMBL23543341 0.93 NR3C1 (0.37) L3MBTL1NR3C1PGRLMNAPPARG
SCHEMBL23543481 0.93 L3MBTL1 (0.38) L3MBTL1METTEAD1TEAD4TEAD2
SCHEMBL20777638 0.91 ABCG2 (0.34) L3MBTL1NR3C1PGRLMNAPOLB
SCHEMBL23679096 0.91 NR3C1 (0.36) METNR3C1PGRLMNAPOLB
SCHEMBL20777633 0.90 L3MBTL1 (0.40) L3MBTL1METLMNAPOLBDHODH
SCHEMBL23679220 0.89 NR3C1 (0.38) METNR3C1PGRLMNAPOLB
SCHEMBL23679165 0.89 NR3C1 (0.36) NR3C1PGRPIK3CAABCG2ICMT
SCHEMBL23679115 0.88 NR3C1 (0.35) NR3C1PGRLMNAPOLBPPARG
SCHEMBL23679097 0.88 NR3C1 (0.35) NR3C1PGRLMNAPOLBPIK3CA

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-3673031-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-07-28 EP disclosed