SCHEMBL21282017

SCHEMBL21282017

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
ABCG2 Q9UNQ0 7/20 0.34
WHR1 P49842 1/20 0.32
PDE10A Q9Y233 2/20 0.32
ACP1 P24666 2/20 0.31
ADORA2A P29274 2/20 0.31
NR1I3 Q14994 1/20 0.31
PDE5A O76074 1/20 0.30
GAA P10253 1/20 0.30
ABCB1 P08183 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL18564304 0.92 WHR1 (0.32) MEN1KMT2AATMABCG2WHR1
SCHEMBL18564367 0.92 WHR1 (0.33) MEN1KMT2AATMWHR1PDE10A
SCHEMBL19248064 0.92 RXFP1 (0.31) RXFP1
SCHEMBL18564316 0.90 WHR1 (0.34) MEN1KMT2AATMABCG2WHR1
SCHEMBL24217426 0.90 RXFP1 (0.33) ATMABCG2PDE10ARXFP1
SCHEMBL18564471 0.90 WHR1 (0.31) WHR1PDE10A
SCHEMBL25966451 0.89 KDM4E (0.34) ATMABCG2PDE10ARXFP1
SCHEMBL15497586 0.89 MEN1 (0.39) MEN1KMT2AATMABCG2WHR1
SCHEMBL8815996 0.89 ATM (0.38) MEN1KMT2AATMABCG2WHR1
SCHEMBL18564473 0.89 WHR1 (0.34) MEN1KMT2AATMWHR1PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019172623-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-09-12 WO disclosed
WO-2019160335-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2019-08-22 WO disclosed