SCHEMBL8075904

SCHEMBL8075904

FC(F)[CH]c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
MAPT P10636 7/20 0.36
LMNA P02545 2/20 0.36
CGAS Q8N884 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35

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
SCHEMBL27904897 0.80 JUN (0.40) JUNNFKB1CYP19A1CYP11B2MAPT
SCHEMBL6299957 0.74 MAPT (0.40) JUNNFKB1CYP19A1CYP11B2MAPT
SCHEMBL184701 0.72 ALDH1A1 (0.41) CYP19A1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL27763752 0.69 MAPT (0.44) CYP19A1CYP11B2MAPTLMNASMN1; SMN2
SCHEMBL6630607 0.69
SCHEMBL2927847 0.69
SCHEMBL107198 0.67 MAPT (0.61) JUNNFKB1CYP19A1CYP11B2MAPT
SCHEMBL138489 0.67 MAPT (0.61) JUNNFKB1CYP19A1CYP11B2MAPT
SCHEMBL721735 0.67 MAPT (0.47) JUNNFKB1CYP19A1CYP11B2MAPT
SCHEMBL9537809 0.67 CHRNB2 (0.35) JUNNFKB1CYP19A1CYP11B2MAPT

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
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed