SCHEMBL8199727

SCHEMBL8199727

O=C(O)c1cc(OCC(c2ncc[nH]2)c2nccs2)ccc1CCc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.36
F2RL1 P55085 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8185548 0.92 CTSA (0.36) CTSAF2RL1ADORA2BADORA1FFAR4
SCHEMBL8185964 0.87 F2RL1 (0.36) F2RL1KDM5AKDM4CKDM5B
SCHEMBL8192871 0.84 FNTA (0.39)
SCHEMBL8185513 0.84 ITGB3 (0.33) CTSAADORA2BADORA1
SCHEMBL8194981 0.82 CTSA (0.35) CTSAMRGPRX4ADORA2BADORA1KDM5A
SCHEMBL7864451 0.81 CTSA (0.35) CTSAMRGPRX4ADORA2BADORA1KDM5A
SCHEMBL7701993 0.80 CTSA (0.33) CTSAMRGPRX4ADORA2BADORA1KDM5A
SCHEMBL8197703 0.80 FFAR4 (0.34) CTSAADORA2BADORA1FFAR4HPGD
SCHEMBL8185758 0.76 CTSA (0.40) CTSAF2RL1
SCHEMBL8186055 0.76 ADORA2B (0.35) CTSAADORA2BADORA1FFAR4NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP disclosed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 WO disclosed