SCHEMBL26697667

SCHEMBL26697667

COc1cc(Oc2ccc(CC(N)=O)cc2C)cc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.39
▸ CARM1 Q86X55 2/20 0.36
▸ PRMT6 Q96LA8 2/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MBOAT4 Q96T53 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TAS2R8 Q9NYW2 1/20 0.34
▸ EPHX2 P34913 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
SCHEMBL29936052 0.87 HTR2A (0.41) CHRM4CARM1PRMT6HTR2ASLC6A4
SCHEMBL26697782 0.81 EGLN2 (0.36) CHRM4ENPP1MBOAT4LMNA
SCHEMBL31052765 0.78 EGLN2 (0.42) ENPP1LMNA
SCHEMBL26892701 0.78 EGLN2 (0.42) ENPP1LMNA
SCHEMBL17653849 0.72 EPHX2 (0.52) L3MBTL1LMNAHTTSMN1; SMN2EPHX2
SCHEMBL26697752 0.69 EGLN2 (0.38) CHRM4LMNASMN1; SMN2
SCHEMBL29936085 0.69 EGLN2 (0.38) CHRM4LMNASMN1; SMN2
SCHEMBL27093496 0.68 KDM4E (0.36) HTR2ASLC6A4LMNA
SCHEMBL26697649 0.65 ALDH1A1 (0.43) LMNAHTT
SCHEMBL1033641 0.64 LMNA (0.61) LMNAHTTSMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 — — EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 — — WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 — — WO disclosed
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