SCHEMBL23936255

SCHEMBL23936255

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)nc(-c5ccccc5)nc4c3)cc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.38
PDK2 Q15119 4/20 0.36
DHFR P00374 1/20 0.35
ADORA1 P30542 1/20 0.34
NUDT1 P36639 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
STAT6 P42226 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDK1 Q15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADK P55263 1/20 0.33
NTSR1 P30989 1/20 0.33
ADORA2A P29274 1/20 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
SCHEMBL23936492 0.93 MEN1 (0.49) WHR1MEN1KMT2AATMHPGD
SCHEMBL23936470 0.91 WHR1 (0.47) WHR1MEN1KMT2AATMHPGD
SCHEMBL18455544 0.90 WHR1 (0.46) WHR1MEN1KMT2AATMHPGD
SCHEMBL23936112 0.90 MEN1 (0.51) WHR1MEN1KMT2AATMHPGD
SCHEMBL23936132 0.88 WHR1 (0.44) WHR1MEN1KMT2AATMHPGD
SCHEMBL18455541 0.88 MEN1 (0.48) WHR1MEN1KMT2AATMHPGD
SCHEMBL23936747 0.86 MEN1 (0.52) WHR1MEN1KMT2AATMHPGD
SCHEMBL23936442 0.86 MEN1 (0.44) WHR1MEN1KMT2AATMHPGD
SCHEMBL23935948 0.86 WHR1 (0.44) WHR1MEN1KMT2AATMHPGD
SCHEMBL18455546 0.85 MEN1 (0.49) WHR1MEN1KMT2AATMHPGD

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed