SCHEMBL28634857

SCHEMBL28634857

CCOC(=O)C(=C=O)Cc1cccc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ CYP1A2 P05177 5/20 0.41
▸ GRM5 P41594 5/20 0.40
▸ CYP3A4 P08684 2/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28631701 0.85 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL28634855 0.82 CTDSP1 (0.61) MEN1KMT2ACTDSP1KDM4EALDH1A1
SCHEMBL28631820 0.80 CYP1A2 (0.51) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL1135252 0.79 ALDH1A1 (0.48) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL11831057 0.77 CTDSP1 (0.49) MEN1KMT2ACTDSP1KDM4EALDH1A1
SCHEMBL28547028 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29684288 0.74 KMT2A (0.53) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL869497 0.74 KMT2A (0.53) MEN1KMT2AKDM4EALDH1A1OPRM1
SCHEMBL28631700 0.72 KMT2A (0.47) MEN1KMT2ACTDSP1KDM4EALDH1A1
SCHEMBL6900384 0.71 P2RX7 (0.46) MEN1KMT2AKDM4EALDH1A1OPRM1

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-109761986-B Tricyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-10-08 — — CN disclosed
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