SCHEMBL24684644

SCHEMBL24684644

C=C/C=C(\C=C/C)c1ccc2[nH]c3ccc(-c4ccccc4)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ F2 P00734 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PADI4 Q9UM07 2/20 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
SCHEMBL21668821 0.88 TNKS2 (0.40) CDK4CCND1JAK2HTR7TNKS2
SCHEMBL24726999 0.87 KDM4E (0.45) MEN1KMT2AKDM4EHCRTR1ALDH1A1
SCHEMBL25467893 0.80 KMO (0.42) MAPT
SCHEMBL2425597 0.79 CDK4 (0.35) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL24727359 0.78 KDM4E (0.32) MEN1KMT2AKDM4EHCRTR1ALDH1A1
SCHEMBL23676741 0.77 KIF11 (0.32) KIF11
SCHEMBL12811315 0.76 PLA2G2A (0.31) —
SCHEMBL21740826 0.76 TNKS2 (0.44) CDK4CCND1JAK2HTR7TNKS2
SCHEMBL24164440 0.75 GRIA4 (0.31) KDM4EALDH1A1MAPT
SCHEMBL14562081 0.75 HSD17B1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT

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-3679024-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-02 — — EP disclosed
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