SCHEMBL22240215

SCHEMBL22240215

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGAV P06756 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA10 Q9GZZ6 1/20 0.30
▸ CHRNA9 Q9UGM1 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
SCHEMBL22240057 0.91 MEN1 (0.34) MEN1KMT2A
SCHEMBL22240059 0.90 AXL (0.31) MEN1KMT2AKDM4EHTT
SCHEMBL22239724 0.90 TRPV1 (0.31) —
SCHEMBL22240073 0.88 HTT (0.34) NOS2MEN1KMT2AKDM4EHTT
SCHEMBL22239993 0.87 KDM4E (0.35) MEN1KMT2AKDM4EHTTPOLB
SCHEMBL22240292 0.87 MEN1 (0.32) MEN1KMT2A
SCHEMBL22239708 0.86 MEN1 (0.32) MEN1KMT2AKDM4EHTTPOLB
SCHEMBL22240267 0.86 MEN1 (0.34) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22239757 0.86 MEN1 (0.35) MEN1KMT2AHTTPOLBHPGD
SCHEMBL22240214 0.85 MEN1 (0.32) MEN1KMT2AHTTPOLBHPGD

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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