SCHEMBL22239993

SCHEMBL22239993

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HRH4 Q9H3N8 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ FASN P49327 1/20 0.31
▸ CHI3L1 P36222 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL22240057 0.90 MEN1 (0.34) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL22240073 0.89 HTT (0.34) KDM4EALDH1A1ALOX12MEN1KMT2A
SCHEMBL22240267 0.89 MEN1 (0.34) RAB9AMEN1KMT2AHTTPOLB
SCHEMBL22239708 0.89 MEN1 (0.32) KDM4EALDH1A1ALOX12MEN1KMT2A
SCHEMBL22240325 0.88 MEN1 (0.32) HRH4MEN1KMT2AHTTPOLB
SCHEMBL22240214 0.88 MEN1 (0.32) HRH4MEN1KMT2AHTTPOLB
SCHEMBL22240059 0.87 AXL (0.31) KDM4EALDH1A1ALOX12LMNARAB9A
SCHEMBL22240215 0.87 NOS2 (0.32) KDM4EMEN1KMT2AHTTPOLB
SCHEMBL22239757 0.86 MEN1 (0.35) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL22240292 0.86 MEN1 (0.32) MEN1KMT2A

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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