SCHEMBL23047488

SCHEMBL23047488

Bc1cccc(NC(=N)NC(=N)N2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GLA P06280 1/20 0.38

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
SCHEMBL23047469 0.86 RAB9A (0.43) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL14706051 0.84 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL14705931 0.83 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL14705744 0.83 ALDH1A1 (0.59) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL14705933 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1RAB9ARECQL
SCHEMBL14706047 0.83 SMN1; SMN2 (0.50) KMT2AMEN1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL23035227 0.83 ALDH1A1 (0.43) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL23047463 0.83 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL14705943 0.83 DDX3X (0.44) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL14705942 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1RAB9ARECQL

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-2742019-B1 N1-CYCLIC AMINE-N5-SUBSTITUTED PHENYL BIGUANIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME IMMUNOMET THERAPEUTICS INC (US) 2021-03-03 — — EP disclosed
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