SCHEMBL4639459

SCHEMBL4639459

CC(C)(C)[Si](C)(C)OCc1onc(-c2cccnc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.34
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
EPAS1 Q99814 1/20 0.32
AKR1C3 P42330 1/20 0.30

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
SCHEMBL4637747 0.91 EPAS1 (0.38) TACR1MAPTTP53EPAS1
SCHEMBL4639495 0.89 TACR1 (0.31) TACR1MAPTTP53
SCHEMBL4638834 0.87 TACR1 (0.32) TACR1MAPTTP53EPAS1AKR1C3
SCHEMBL4639367 0.87 TACR1 (0.32) TACR1MAPTTP53EPAS1AKR1C3
SCHEMBL4637966 0.87 KMT2A (0.41) TACR1MAPTTP53
SCHEMBL4637842 0.86 TACR1 (0.36) TACR1MAPTTP53AKR1C3
SCHEMBL4637945 0.83 EPAS1 (0.37) TACR1MAPTTP53EPAS1
SCHEMBL4637783 0.82 TACR1 (0.41) TACR1MAPTEPAS1
SCHEMBL4637701 0.82 GPBAR1 (0.38) TACR1MAPTEPAS1
SCHEMBL4637940 0.82 IDH1 (0.41) TACR1MAPTEPAS1

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-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed