SCHEMBL28056303

SCHEMBL28056303

c1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5cccc6ccccc56)cc4c3)c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
ACMSD Q8TDX5 1/20 0.48
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
GSTP1 P09211 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
PIM1 P11309 2/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28056318 0.95 MCL1 (0.49) MCL1ACMSDCA12CA1CA2
SCHEMBL28798066 0.94 CA12 (0.51) MCL1ACMSDCA12CA1CA2
SCHEMBL27889959 0.93 MCL1 (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL29770853 0.92 MCL1 (0.44) MCL1ACMSDCA12CA1CA2
SCHEMBL21176075 0.92 HDAC4 (0.45) MCL1ACMSDCA12CA1CA2
SCHEMBL30100127 0.92 HDAC8 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL1155344 0.92 HDAC8 (0.47) MCL1ACMSDCA12CA1CA2
SCHEMBL29489153 0.90 CA12 (0.46) MCL1ACMSDCA12CA1CA2
SCHEMBL1925913 0.90 CA12 (0.46) MCL1ACMSDCA12CA1CA2
SCHEMBL24618763 0.90 MCL1 (0.49) MCL1ACMSDCA12CA1CA2

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
CN-102659504-B Organic electric-field light-emitting element, display unit and lighting device JNC CORPORATION (JP) 2016-05-04 CN disclosed