SCHEMBL22672123

SCHEMBL22672123

C=Cc1c(/C=C\C)c2ccccc2n1-c1cccc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PMM2 O15305 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ PHOSPHO1 Q8TCT1 1/20 0.34
▸ PSD A5PKW4 1/20 0.34

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
SCHEMBL18323681 0.86 KDM4E (0.46) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL24752407 0.86 ATM (0.35) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL14362372 0.86 KDM4E (0.38) ALDH1A1LMNAKDM4E
SCHEMBL21064229 0.85 KDM4E (0.35) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL23543792 0.84 MAPT (0.40) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL19734114 0.83 FGFR1 (0.34) MAPTTP53ALDH1A1LMNASMN1; SMN2
SCHEMBL17425340 0.81 KDM4E (0.36) MEN1USP2KMT2AKDM4E
SCHEMBL18506334 0.81 KDM4E (0.36) ALDH1A1LMNAKDM4E
SCHEMBL21448946 0.80 KDM4E (0.44) MAPTKDM4ETDP1
SCHEMBL23771658 0.80 L3MBTL1 (0.34) MAPTALDH1A1LMNAHTTMEN1

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-20200365811-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND COMPOSITION FILM IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 — — US disclosed
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