SCHEMBL30289855

SCHEMBL30289855

COc1cc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ HTT P42858 1/20 0.60
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ESR1 P03372 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SRC P12931 1/20 0.46
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44

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
SCHEMBL30289846 0.86 KMT2A (0.62) MEN1KMT2AHTTPOLBTSHR
SCHEMBL30289840 0.85 MEN1 (0.53) MEN1KMT2AHTTPOLBTSHR
SCHEMBL30289858 0.82 MAPT (0.49) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL30289989 0.80 MEN1 (0.45) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL27167386 0.79 MEN1 (0.61) MEN1KMT2AHTTPOLBTSHR
SCHEMBL30054584 0.79 MEN1 (0.61) MEN1KMT2AHTTPOLBTSHR
SCHEMBL30289844 0.79 MAPT (0.52) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL30289868 0.79 MAPT (0.52) MEN1KMT2AHTTPOLBSMN1; SMN2
SCHEMBL30081006 0.78 KMT2A (0.60) MEN1KMT2AHTTPOLBTSHR
SCHEMBL29533227 0.76 KDM4E (0.56) MEN1KMT2AHTTPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
Send feedback