SCHEMBL19670657

SCHEMBL19670657

O=C(Nc1ccncn1)N1c2nc(-c3cccc(Cl)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.42
▸ CNR2 P34972 4/20 0.40
▸ GRM5 P41594 5/20 0.39
▸ FAAH O00519 3/20 0.37
▸ KMO O15229 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL19706131 0.88 POLB (0.42) CNR2GRM5FAAHKMOALDH1A1
SCHEMBL19706083 0.87 MPL (0.44) MPLFAAHKMOALDH1A1KDM1A
SCHEMBL19706149 0.85 FAAH (0.40) CNR2GRM5FAAHALDH1A1KDM1A
SCHEMBL19706127 0.83 TSHR (0.47) CNR2GRM5ALDH1A1ABL1
SCHEMBL19670550 0.82 RHOA (0.39) CNR2GRM5
SCHEMBL19365860 0.82 CHRNA7 (0.36) MPLFAAHKDM1AMAOBABL1
SCHEMBL19670539 0.80 BRAF (0.37) CNR2GRM5KDM1AMAOB
SCHEMBL19706271 0.80 CNR2 (0.36) CNR2GRM5FAAHKDM1AMAOB
SCHEMBL19706246 0.80 BRAF (0.37) CNR2GRM5KDM1AMAOBABL1
SCHEMBL19706141 0.80 P2RY1 (0.40) CNR2GRM5ALDH1A1ABL1

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
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