SCHEMBL22240292

SCHEMBL22240292

C=C(N[C@H](C)C(F)(F)F)c1ccc2c(n1)N(C(=C)Nc1ccccn1)C1CCN2C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PHGDH O43175 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ AXL P30530 4/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL22239724 0.90 TRPV1 (0.31) TRPV1CNR1CNR2
SCHEMBL22240094 0.89 PHGDH (0.36) KMT2APHGDH
SCHEMBL22239716 0.88 KMT2A (0.34) KMT2A
SCHEMBL22239863 0.88 KMT2A (0.34) KMT2A
SCHEMBL22240059 0.87 AXL (0.31) MEN1KMT2AAXL
SCHEMBL22240215 0.87 NOS2 (0.32) MEN1KMT2A
SCHEMBL22239993 0.86 KDM4E (0.35) MEN1KMT2A
SCHEMBL22239948 0.85 — —
SCHEMBL22239757 0.84 MEN1 (0.35) 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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