SCHEMBL22989184

SCHEMBL22989184

c1ccc(-c2nc(-c3ccc4cc(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)ccc4c3)nc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
WHR1 P49842 1/20 0.37
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 6/20 0.35
CYP2C9 P11712 3/20 0.35
NR1I3 Q14994 3/20 0.35
CYP2B6 P20813 2/20 0.35
AHR P35869 2/20 0.35
VDR P11473 1/20 0.35
HPGD P15428 2/20 0.34
CYP2D6 P10635 5/20 0.34
MAPK1 P28482 3/20 0.34
USP2 O75604 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.33

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
SCHEMBL22989182 0.99 MEN1 (0.40) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989194 0.97 MEN1 (0.40) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989193 0.96 HPGD (0.36) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989187 0.92 MEN1 (0.34) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989195 0.92 MEN1 (0.36) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989049 0.92 MEN1 (0.47) MEN1KMT2AATMWHR1HPGD
SCHEMBL22989190 0.89 MEN1 (0.32) MEN1KMT2AATMHPGDSMN1; SMN2
SCHEMBL22989052 0.88 MEN1 (0.36) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989029 0.88 ATM (0.43) MEN1KMT2AATMWHR1CYP1A2
SCHEMBL22989247 0.87 MAPK10 (0.36) MEN1KMT2AATMCYP1A2HPGD

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed