SCHEMBL29533227

SCHEMBL29533227

COc1cc2nc(Cl)[nH]c(=O)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ GAA P10253 1/20 0.56
▸ PDE3B Q13370 5/20 0.55
▸ PDE3A Q14432 5/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53

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
SCHEMBL3319211 1.00 KDM4E (0.56) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL11553365 0.88 ENPP1 (0.55) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL3427577 0.88 KDM4E (0.45) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL6128121 0.81 KDM4E (0.62) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL14072478 0.80 KDM4E (0.56) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL29900596 0.80 KDM4E (0.67) KDM4EGAAPDE3BPDE3ATUBB4A
SCHEMBL2722306 0.80 KDM4E (0.67) KDM4EGAAPDE3BPDE3ATUBB4A
SCHEMBL6118802 0.78 TNKS (0.63) KDM4EMEN1KMT2AHTTTUBB4A
SCHEMBL21524692 0.78 KDM4E (0.53) KDM4EGAAPDE3BPDE3AMEN1
SCHEMBL4980044 0.78 PDE5A (0.45) KDM4EPDE3BPDE3AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896762-B Liquid phase synthesis method of biotin tripeptide-1 浙江湃肽生物有限公司深圳分公司 2022-03-29 — — CN claimed
EP-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 — — EP disclosed
WO-2023287730-A1 TRICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2023-01-19 — — WO disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 — — WO disclosed
CN-113896762-B Liquid phase synthesis method of biotin tripeptide-1 浙江湃肽生物有限公司深圳分公司 2022-03-29 — — CN disclosed
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