SCHEMBL20124389

SCHEMBL20124389

C=C/C(=C\C=C/C)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GABBR2 O75899 1/20 0.39
▸ GABBR1 Q9UBS5 1/20 0.39
▸ ATM Q13315 1/20 0.37

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
SCHEMBL20124427 0.83 ALDH1A1 (0.51) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL12620190 0.83 ALDH1A1 (0.38) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL18560661 0.79 ALDH5A1 (0.31) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL20124419 0.78 KDM4E (0.58) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL18427901 0.78 AKT1 (0.42) ALDH1A1CYP3A4MAPTMAPK1HSD17B10
SCHEMBL18789935 0.76 — —
SCHEMBL18789931 0.74 — —
SCHEMBL25777990 0.74 KMO (0.45) MAPTTDP1PRSS1
SCHEMBL13782640 0.73 HDAC1 (0.33) —
SCHEMBL20027435 0.73 MEN1 (0.47) MEN1KMT2AKDM4EHPGDSMN1; SMN2

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
EP-3082173-B1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO LTD (KR) 2018-05-09 — — EP disclosed
Send feedback