SCHEMBL13575482

SCHEMBL13575482

Nc1cc(F)c(C(=O)NC2CCOCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP30 Q70CQ3 1/20 0.45
CHEK1 O14757 1/20 0.44
MAOA P21397 3/20 0.44
PIK3C3 Q8NEB9 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
GSK3B P49841 1/20 0.42
KCNH2 Q12809 1/20 0.42
DYRK1A Q13627 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MET P08581 1/20 0.39
S100A4 P26447 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13575489 0.86 HTR4 (0.49) KDM1AHPGD
SCHEMBL2060204 0.84 HPGD (0.55) KDM1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13575564 0.84 HTR4 (0.52) KDM1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1781337 0.82 ACKR3 (0.49) HPGDNPC1RAB9ASMN1; SMN2USP30
SCHEMBL13161899 0.80 HPGD (0.56) KDM1AHPGDNPC1RAB9ACHEK1
SCHEMBL13161908 0.80 HPGD (0.52) KDM1AHPGDCHEK1PIK3C3CSNK2A2
SCHEMBL13575589 0.80 HDAC6 (0.55) KDM1ANPC1RAB9AUSP30KCNH2
SCHEMBL23133319 0.79 NPC1 (0.47) KDM1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3546444 0.79 HTR4 (0.57) HPGDKCNH2
SCHEMBL31171310 0.78 USP30 (0.49) KDM1AHPGDNPC1RAB9ASMN1; 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-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed