SCHEMBL30054584

SCHEMBL30054584

CNc1nc2cc(OC)c(OC)cc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ ESR1 P03372 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ KDM4E B2RXH2 5/20 0.57
▸ GAA P10253 1/20 0.57
▸ PDE3B Q13370 4/20 0.53
▸ PDE3A Q14432 4/20 0.53
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL27167386 1.00 MEN1 (0.61) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL30081006 0.86 KMT2A (0.60) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL6128121 0.82 KDM4E (0.62) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL30289846 0.80 KMT2A (0.62) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL24931695 0.79 MEN1 (0.53) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL30289840 0.79 MEN1 (0.53) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL30289855 0.79 MEN1 (0.60) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL3319211 0.78 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL29533227 0.78 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL14072478 0.78 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR

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-4334305-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2024-03-13 — — EP disclosed
WO-2022236101-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2022-11-10 — — WO disclosed
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