SCHEMBL16654904

SCHEMBL16654904

O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.44
▸ TDP1 Q9NUW8 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ PIN1 Q13526 2/20 0.38
▸ HSPB1 P04792 4/20 0.37
▸ TTR P02766 1/20 0.36

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
SCHEMBL107560 0.91 MAPT (0.39) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL30965188 0.91 MAPT (0.39) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL137478 0.85 TDP1 (0.38) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL26608049 0.81 HSPB1 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2411379 0.80 PIN1 (0.39) TDP1MAPTMEN1KMT2AKDM4E
SCHEMBL16059862 0.80 MAPT (0.38) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL25254710 0.80 TSHR (0.47) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL16654759 0.77 MPO (0.37) CASP6
SCHEMBL16386609 0.75 LMNA (0.38) MERTKTDP1MAPTMEN1KMT2A
SCHEMBL15500642 0.74 GCK (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
WO-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
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