SCHEMBL22240073

SCHEMBL22240073

C=C(NCCC)c1ccc2c(n1)N(C(=C)Nc1ccccn1)[C@H]1CCN2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA10 Q9GZZ6 1/20 0.31
▸ CHRNA9 Q9UGM1 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
SCHEMBL22239708 0.90 MEN1 (0.32) HTTALOX12ALDH1A1KDM4EMEN1
SCHEMBL22240267 0.90 MEN1 (0.34) HTTMEN1KMT2APOLBHPGD
SCHEMBL22240325 0.89 MEN1 (0.32) HTTMEN1KMT2APOLBHPGD
SCHEMBL22240214 0.89 MEN1 (0.32) HTTMEN1KMT2APOLBHPGD
SCHEMBL22239993 0.89 KDM4E (0.35) HTTALOX12ALDH1A1KDM4EMEN1
SCHEMBL22240059 0.88 AXL (0.31) HTTSMN1; SMN2ALOX12ALDH1A1KDM4E
SCHEMBL22240215 0.88 NOS2 (0.32) HTTKDM4EMEN1KMT2ANOS2
SCHEMBL22239757 0.87 MEN1 (0.35) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22240057 0.87 MEN1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22239936 0.85 MEN1 (0.36) HTTSMN1; SMN2ALDH1A1MEN1KMT2A

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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