SCHEMBL19670539

SCHEMBL19670539

O=C(Nc1cccc(-c2cnco2)n1)N1c2nc(-c3cccc(Cl)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.37
▸ RHOA P61586 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ CNR2 P34972 9/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL19670550 0.89 RHOA (0.39) BRAFRHOACNR2CNR1GRM5
SCHEMBL19670658 0.89 KDM1A (0.38) BRAFRHOAPIM1PIM2KDM1A
SCHEMBL19706147 0.88 BRAF (0.44) BRAFRHOACNR2CNR1KDM1A
SCHEMBL19365566 0.85 RHOA (0.36) BRAFRHOAHTR1APIM1KDM1A
SCHEMBL19706131 0.82 POLB (0.42) BRAFCNR2KDM1AMAOBGRM5
SCHEMBL17618837 0.81 BRAF (0.36) BRAFRHOAHTR1ACNR2CNR1
SCHEMBL19670657 0.80 MPL (0.42) CNR2KDM1AMAOBGRM5
SCHEMBL19706246 0.80 BRAF (0.37) BRAFCNR2KDM1AMAOBGRM5
SCHEMBL19706127 0.80 TSHR (0.47) CNR2GRM5
SCHEMBL19706271 0.78 CNR2 (0.36) BRAFCNR2CNR1KDM1AMAOB

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
Send feedback