SCHEMBL21116048

SCHEMBL21116048

C#CCOc1ccc(C(=O)c2ccc(Cn3cc(CNC)c4cc(C(F)(F)F)ccc43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
THRB P10828 2/20 0.44
ADAM17 P78536 2/20 0.43
ICMT O60725 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
PLA2G2A P14555 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
LMNA P02545 1/20 0.39
HDAC10 Q969S8 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL16629671 0.91 CYP19A1 (0.47) CYP19A1THRBADAM17ICMTHDAC6
SCHEMBL18014736 0.89 CYP19A1 (0.45) CYP19A1THRBADAM17ICMTHDAC6
SCHEMBL17968715 0.74 PSEN1 (0.69)
SCHEMBL21116049 0.70 PDE4A (0.44) ICMT
SCHEMBL12517362 0.65 CYP19A1 (0.59) CYP19A1HDAC2HDAC3HDAC8SRD5A2
SCHEMBL21115994 0.65 HTR1D (0.49)
SCHEMBL9732645 0.64 PLA2G2A (0.61) ICMTHDAC6HDAC1HDAC2PLA2G2A
SCHEMBL25960519 0.64 CYP19A1 (0.57) CYP19A1
SCHEMBL13802401 0.64 PPARD (0.69) ICMTPLA2G2A
SCHEMBL9732261 0.63 ICMT (0.56) ADAM17ICMTPLA2G2AEGFRIGF1R

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-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed