SCHEMBL19365313

SCHEMBL19365313

C[C@@H]1CCN(C)c2ccc(Cl)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ POLB P06746 3/20 0.35
▸ FAAH O00519 2/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL19365370 0.87 PTGS1 (0.41) KMT2ARAB9AMEN1NPC1
SCHEMBL19865071 0.84 HTR2C (0.47) RAB9ANPC1HIF1AMAPTSMN1; SMN2
SCHEMBL19865058 0.83 GRM5 (0.39) KDM4EFFAR2
SCHEMBL19365751 0.83 GSK3B (0.38) KDM4EFAAHMAPTGSK3BDYRK1A
SCHEMBL19365270 0.82 WNT3A (0.40) GSK3BDYRK1A
SCHEMBL19364888 0.81 WNT3A (0.39) FAAHHIF1AMAPTGSK3BDYRK1A
SCHEMBL16237541 0.79 KMT2A (0.38) KMT2AKDM4ERAB9AMEN1CHEK1
SCHEMBL17778258 0.79 KMT2A (0.38) KMT2AKDM4ERAB9AMEN1CHEK1
SCHEMBL16754508 0.79 KMT2A (0.38) KMT2AKDM4ERAB9AMEN1CHEK1
SCHEMBL19365662 0.79 HTR1F (0.36) KDM4EFAAHMAPTGSK3BDYRK1A

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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