SCHEMBL16199864

SCHEMBL16199864

C=C/N=C(/Nc1ccc(F)c(Cl)c1)c1cc(O)c(OC)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.41
FADS1 O60427 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40

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
SCHEMBL8210331 0.81 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28514103 0.66 HDAC3 (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13267376 0.65 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4414699 0.64 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL16489240 0.63 KDM4E (0.56) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4730873 0.62 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4730870 0.62 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL27676555 0.62 FADS1 (0.64) MAPTNPC1RAB9ASMN1; SMN2FADS1
SCHEMBL4228436 0.62 TSHR (0.43) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3930649 0.62 MAPT (0.66) MAPTNPC1RAB9ASMN1; SMN2HTT

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
EP-2190287-B1 TARTRATE SALTS OR COMPLEXES OF QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2014-10-29 EP disclosed