SCHEMBL30132632

SCHEMBL30132632

NCc1ccc(Oc2ccc(Cl)nc2)c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALOX12 P18054 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL20554915 1.00 KDM4E (0.38) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL20554176 0.86 GRM4 (0.41) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL20554745 0.82 SLC40A1 (0.37) KDM4ESMN1; SMN2GAAMAOAMAOB
SCHEMBL30132530 0.82 SLC40A1 (0.37) KDM4ESMN1; SMN2GAAMAOAMAOB
SCHEMBL20554046 0.81 KDM4E (0.43) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL30132678 0.80 SLC6A4 (0.43) KDM4EMAPK1GAAMAOAMAOB
SCHEMBL20554811 0.80 SLC6A4 (0.43) KDM4EMAPK1GAAMAOAMAOB
SCHEMBL20554667 0.79 BRD4 (0.35) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL20554693 0.78 BRD4 (0.46) KDM4EMAPTMAOAMAOBRAB9A
SCHEMBL20554706 0.78 ALDH1A1 (0.44) KDM4EMAPTALDH1A1SMN1; SMN2GAA

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 — — CN disclosed
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