SCHEMBL17778258

SCHEMBL17778258

O=C(Nc1cnccn1)N1c2nc(Cl)ccc2N2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ FAAH O00519 3/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ PIM3 Q86V86 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL16754508 1.00 KMT2A (0.38) KMT2AFAAHKDM4EPIM3MEN1
SCHEMBL16237541 1.00 KMT2A (0.38) KMT2AFAAHKDM4EPIM3MEN1
SCHEMBL22239604 0.87 FAAH (0.39) KMT2AFAAHKDM4ERXFP1
SCHEMBL17769875 0.87 FAAH (0.39) KMT2AFAAHKDM4ERXFP1
SCHEMBL16238221 0.87 GRM5 (0.42) KMT2AFAAHMEN1RAB9A
SCHEMBL17778336 0.87 GRM5 (0.42) KMT2AFAAHMEN1RAB9A
SCHEMBL16238325 0.87 GRM5 (0.42) KMT2AFAAHMEN1RAB9A
SCHEMBL17776937 0.86 RXFP1 (0.37) KMT2AFAAHKDM4EMEN1RAB9A
SCHEMBL17618595 0.86 KMT2A (0.36) KMT2AFAAHKDM4EMEN1RAB9A
SCHEMBL19699670 0.86 FAAH (0.38) FAAHPIM3POLB

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 3 patents. 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
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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