SCHEMBL22240057

SCHEMBL22240057

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ GRM5 P41594 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CA P42336 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
SCHEMBL22240059 0.91 AXL (0.31) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL22240292 0.91 MEN1 (0.32) MEN1KMT2A
SCHEMBL22240215 0.91 NOS2 (0.32) MEN1KMT2A
SCHEMBL22239993 0.90 KDM4E (0.35) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL22239757 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL22239724 0.87 TRPV1 (0.31) —
SCHEMBL22240073 0.87 HTT (0.34) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22239708 0.87 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL22240267 0.87 MEN1 (0.34) MEN1KMT2AMAPTRAB9A
SCHEMBL22239936 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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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