SCHEMBL30289960

SCHEMBL30289960

O=c1[nH]c(Nc2cc(F)cc(F)c2)nc2cc(F)c(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HDAC11 Q96DB2 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ THRB P10828 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
SCHEMBL30289989 0.86 MEN1 (0.45) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289850 0.86 MAPT (0.65) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289806 0.86 MAPT (0.45) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289840 0.82 MEN1 (0.53) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289854 0.81 KDM4E (0.71) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289904 0.81 MAPT (0.52) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289842 0.79 KDM4E (0.47) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289867 0.77 RIPK1 (0.49) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30289914 0.73 PARP1 (0.56) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4368274 0.73 KDM4E (0.62) MAPTKDM4ESMN1; SMN2RAB9AALDH1A1

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
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