SCHEMBL22820178

SCHEMBL22820178

O=C(Nc1ccc(F)cc1)c1cccc(C(=O)Nc2ccccc2F)c1F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.69
▸ RAB9A P51151 6/20 0.63
▸ NPC1 O15118 5/20 0.63
▸ HTT P42858 4/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ POLB P06746 1/20 0.63
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ KLK7 P49862 1/20 0.55

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
SCHEMBL22820075 0.91 HTT (0.61) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL22819984 0.87 KDM4E (0.65) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL22819979 0.87 LMNA (0.59) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL30739758 0.86 LMNA (0.75) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL22819939 0.86 LMNA (0.70) LMNARAB9ANPC1HTTPOLB
SCHEMBL22819974 0.86 CYP1A2 (0.60) LMNARAB9ANPC1HTTMEN1
SCHEMBL22819978 0.86 LMNA (0.57) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL22819976 0.86 LMNA (0.57) LMNARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL22820059 0.85 RAB9A (0.58) LMNARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL22820062 0.83 HTT (0.67) LMNARAB9ANPC1HTTSMN1; SMN2

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-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 — — WO disclosed
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