SCHEMBL4708475

SCHEMBL4708475

CC(O)c1onc(-c2nnn(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2Cl)c1C(=O)c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORB Q92753 9/20 0.37
RORC P51449 5/20 0.37
TACR1 P25103 2/20 0.36
PTGER4 P35408 2/20 0.35
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
EPAS1 Q99814 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C3 P42330 1/20 0.33
GAA P10253 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
SCHEMBL4708474 1.00 RORB (0.37) RORBRORCTACR1PTGER4KMT2A
SCHEMBL4707988 0.90 PTGER4 (0.36) RORBRORCTACR1PTGER4KMT2A
SCHEMBL4707992 0.90 PTGER4 (0.36) RORBRORCTACR1PTGER4KMT2A
SCHEMBL4705694 0.89 LMNA (0.43) RORBRORCTACR1KMT2AEPAS1
SCHEMBL4707455 0.87 POLB (0.37) RORCTACR1KMT2AKDM4ESMN1; SMN2
SCHEMBL4707456 0.87 POLB (0.37) RORCTACR1KMT2AKDM4ESMN1; SMN2
SCHEMBL4708267 0.86 RORB (0.38) RORBRORCTACR1KMT2AEPAS1
SCHEMBL4708221 0.81 RORB (0.37) RORBRORCTACR1KMT2AKDM4E
SCHEMBL4705298 0.79 RORB (0.36) RORBRORCTACR1KDM4EHTT
SCHEMBL4705893 0.79 USP2 (0.38) PTGER4KMT2AEPAS1AKR1C3GAA

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-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed