SCHEMBL2227437

SCHEMBL2227437

C=CCNC1=CC(=O)CC=N1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 1/20 0.31
MITF O75030 1/20 0.31
NSD2 O96028 1/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.30
HCAR3 P49019 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
SCHEMBL11617598 0.67 CA12 (0.34) ALDH1A1KDM4ERAB9AMITFNSD2
SCHEMBL2432407 0.61
SCHEMBL11123410 0.61 POLB (0.51) ALDH1A1RAB9AMITFNSD2LMNA
SCHEMBL2227082 0.60
SCHEMBL7481179 0.59
SCHEMBL472918 0.58
SCHEMBL10667404 0.58
SCHEMBL6454776 0.58
SCHEMBL28113237 0.58 MAPT (0.31) ALDH1A1MITFNSD2LMNACASP3
SCHEMBL6419486 0.58 LMNA (0.38) ALDH1A1KDM4EMITFNSD2LMNA

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
WO-2011089457-A1 NOVEL MEDICINAL COMPOUNDS URATIM GYÁRTÓ KORLÁTOLT FELELŐSSÉGŰ TÁRSASÁG (HU) 2011-07-28 WO disclosed