SCHEMBL29351944

SCHEMBL29351944

Cc1cc(Oc2ccc(-c3ccc(F)cc3)cc2)ncc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ HSPB1 P04792 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ UHRF1 Q96T88 1/20 0.40
▸ FYN P06241 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MAPK10 P53779 3/20 0.37
▸ SCN4A P35499 1/20 0.37

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
SCHEMBL22530049 1.00 KDM4E (0.53) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL29351821 0.88 KDM4E (0.43) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22530094 0.88 KDM4E (0.43) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22530482 0.87 MAPT (0.45) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL29351922 0.87 MAPT (0.45) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22529896 0.84 MKNK1 (0.48) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL29351849 0.84 MKNK1 (0.48) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL22529921 0.82 LRRK2 (0.48) KDM4EPOLBUHRF1LTA4H
SCHEMBL29349917 0.82 LRRK2 (0.48) KDM4EPOLBUHRF1LTA4H
SCHEMBL22529970 0.80 MEN1 (0.43) KDM4EMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN disclosed
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