SCHEMBL9335076

SCHEMBL9335076

COc1cc(C2CCCN2)c(C)c(OC)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2A P28223 2/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ ACVR1 Q04771 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BTK Q06187 3/20 0.33
▸ EGFR P00533 2/20 0.33
▸ TEC P42680 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TXK P42681 1/20 0.33

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
SCHEMBL28502339 0.71 POLB (0.48) MEN1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL16687023 0.69 DRD2 (0.38) KDM4ESMN1; SMN2DRD2DRD3
SCHEMBL20190564 0.68 DRD2 (0.32) KDM4ESMN1; SMN2DRD2DRD3
SCHEMBL31648586 0.66 MEN1 (0.60) MEN1KMT2ACHRNB4CHRNA3KCNH2
SCHEMBL22720995 0.66 MEN1 (0.60) MEN1KMT2ACHRNB4CHRNA3KCNH2
SCHEMBL16610538 0.66 MEN1 (0.73) MEN1KMT2AHTR2ACHRNB4CHRNA3
SCHEMBL31648821 0.66 MEN1 (0.60) MEN1KMT2ACHRNB4CHRNA3KCNH2
SCHEMBL21055079 0.66 DRD2 (0.34) MEN1KMT2AMAPK1HTR2AKCNH2
Hydrochloric Acid SCHEMBL31518158 0.66 MEN1 (0.52) MEN1KMT2AKDM4EMAPK1CHRNB4
SCHEMBL27589080 0.66 MEN1 (0.43) MEN1KMT2AKDM4EMAPK1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594758-A1 NOVEL PROCESS FOR AROMATIC BROMINATION MERCK & CO. INC. (US) 1994-05-04 — — EP disclosed
WO-1993002036-A1 NOVEL PROCESS FOR AROMATIC BROMINATION MERCK & CO., INC. (US) 1993-02-04 — — WO disclosed
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