SCHEMBL22819979

SCHEMBL22819979

O=C(Nc1ccc(F)cc1)c1cccc(C(=O)Nc2ccccc2I)c1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ MEN1 O00255 9/20 0.54
▸ KMT2A Q03164 9/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46

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
SCHEMBL22820178 0.87 LMNA (0.69) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22819984 0.86 KDM4E (0.65) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22819939 0.85 LMNA (0.70) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL19747384 0.85 KMT2A (0.74) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22819976 0.84 LMNA (0.57) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22819974 0.84 CYP1A2 (0.60) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22819978 0.84 LMNA (0.57) LMNAMEN1KMT2ATDP1KDM4E
SCHEMBL22820059 0.83 RAB9A (0.58) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL22820203 0.82 HTT (0.57) LMNAKDM4EMAPTNPC1RAB9A
SCHEMBL22819980 0.82 KMT2A (0.62) LMNAMEN1KMT2AKDM4EMAPT

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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