SCHEMBL8723658

SCHEMBL8723658

O=CCCc1ccc(C(=O)N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
AVPR2 P30518 3/20 0.41
AVPR1A P37288 3/20 0.41
OXTR P30559 2/20 0.41
HDAC1 Q13547 1/20 0.39
ALOX15 P16050 3/20 0.39
TSHR P16473 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 2/20 0.39
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39
PPARA Q07869 1/20 0.39
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
THRB P10828 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL1206338 0.80 KDM4E (0.46) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL3241682 0.80 KMT2A (0.46) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL8330483 0.76 RAB9A (0.60) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL8723662 0.75 KMT2A (0.45) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL6391108 0.74 KDM4E (0.45) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL27840846 0.73 ACHE (0.47) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL1179178 0.73 HTT (0.44) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL1201562 0.72 UNG (0.45) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL15486904 0.70 ACHE (0.44) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL1200850 0.69 ACHE (0.46) KDM4ESMN1; SMN2HTTKMT2AMEN1

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
US-5731472-A HETEROCYCLIC NITROGEN COMPOUNDS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-03-24 US disclosed