SCHEMBL30289922

SCHEMBL30289922

O=c1[nH]c(Nc2cccc(F)c2)nc2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ JAK2 O60674 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ 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
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 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
SCHEMBL30289874 0.86 MAPT (0.58) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL30289897 0.82 KMT2A (0.75) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL30289868 0.82 MAPT (0.52) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL30289796 0.81 HPGD (0.43) MEN1MAPTKMT2AJAK2SMN1; SMN2
SCHEMBL30289854 0.74 KDM4E (0.71) MEN1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL30289904 0.73 MAPT (0.52) TAAR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30289806 0.73 MAPT (0.45) TAAR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL32666100 0.72 KDM4E (0.69) TAAR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11637387 0.72 KDM4E (0.69) TAAR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL30289873 0.71 KDM4E (0.71) MEN1MAPTKMT2ASMN1; SMN2RAB9A

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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