SCHEMBL6511267

SCHEMBL6511267

OCC(c1ccc(F)cc1)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.41
LOXL2 Q9Y4K0 1/20 0.37
KDM5A P29375 3/20 0.36
KDM4C Q9H3R0 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
CYP19A1 P11511 2/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.35
KCNH3 Q9ULD8 2/20 0.35
CTSA P10619 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL6980610 0.80 TRPA1 (0.43) CYP19A1
SCHEMBL28028823 0.74 CACNA2D1 (0.44) CYP19A1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9670114 0.72 MAPK14 (0.49) PTGDR2
SCHEMBL4098293 0.70 LOXL2 (0.49) PTGDR2LOXL2KDM4EKCNH3
SCHEMBL14837325 0.70 ROCK1 (0.45) CYP19A1
SCHEMBL6189088 0.70 PTGDR2 (0.36) PTGDR2LOXL2KDM5AKDM4CKDM5B
SCHEMBL27695771 0.70 NR3C2 (0.42) PTGDR2LOXL2KCNH3
SCHEMBL5146094 0.69 CTSA (0.51) CTSAMEN1ALDH1A1PKMKMT2A
SCHEMBL6954666 0.69 F2RL1 (0.43)
SCHEMBL3133992 0.69 LOXL2 (0.36) PTGDR2LOXL2KDM4ECTSAMEN1

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-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed