SCHEMBL22240325

SCHEMBL22240325

C=C(NCC(C)(C)C)c1ccc2c(n1)N(C(=C)Nc1ccccn1)C1CCN2C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ SMO Q99835 1/20 0.30

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
SCHEMBL22240214 1.00 MEN1 (0.32) MEN1KMT2APSMB5HTTDPP4
SCHEMBL22239708 0.89 MEN1 (0.32) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22240267 0.89 MEN1 (0.34) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22240073 0.89 HTT (0.34) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22239993 0.88 KDM4E (0.35) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22239757 0.86 MEN1 (0.35) MEN1KMT2AHTTPTPN11POLB
SCHEMBL22240057 0.86 MEN1 (0.34) MEN1KMT2A
SCHEMBL22240215 0.85 NOS2 (0.32) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22239936 0.85 MEN1 (0.36) MEN1KMT2AHTTPTPN11
SCHEMBL22240059 0.84 AXL (0.31) MEN1KMT2AHTT

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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