SCHEMBL21167994

SCHEMBL21167994

c1ccc(-c2ccc3c4c5ccccc5ccc4n(-c4ccc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.35
MAPK9 P45984 2/20 0.35
NR3C1 P04150 1/20 0.35
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15860052 0.97 MAPK10 (0.34) MAPK10MAPK9NR3C1CYP1A2SMN1; SMN2
SCHEMBL24361384 0.95 MEN1 (0.36) MAPK10MAPK9NR3C1CYP1A2SMN1; SMN2
SCHEMBL24361382 0.93 MEN1 (0.35) MAPK10MAPK9NR3C1CYP1A2SMN1; SMN2
SCHEMBL15860077 0.93 AVPR1A (0.35) NR3C1CYP1A2SMN1; SMN2MEN1ALDH1A1
SCHEMBL21863077 0.93 AVPR1A (0.35) NR3C1CYP1A2SMN1; SMN2MEN1ALDH1A1
SCHEMBL22479854 0.92 GAA (0.34) SMN1; SMN2MEN1ALDH1A1KMT2ACYP1A1
SCHEMBL24157140 0.92 MEN1 (0.37) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL19266724 0.91 PDPK1 (0.35) NR3C1CYP1A2SMN1; SMN2MEN1ALDH1A1
SCHEMBL19428964 0.91 KDM4E (0.36) MAPK10MAPK9NR3C1CYP1A2SMN1; SMN2
SCHEMBL24361472 0.91 KDM4E (0.37) NR3C1CYP1A2SMN1; SMN2MEN1ALDH1A1

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
US-20190221751-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 US disclosed