SCHEMBL21397725

SCHEMBL21397725

COc1ccc(N(c2ccc(C(C)=O)cc2)c2ccccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL21397389 0.89 MAPT (0.46) NPC1HPGDKDM4ENPSR1KMT2A
SCHEMBL30353938 0.88 CA4 (0.41) NPC1HPGDKDM4ECES2CES1
SCHEMBL21397724 0.86 MAPT (0.47) NPC1HPGDKDM4ENPSR1KMT2A
SCHEMBL21397658 0.85 KDM4E (0.45) NPC1HPGDKDM4ECES2CES1
SCHEMBL19879286 0.83 MAPT (0.55) HPGDKDM4ECES2CES1KMT2A
SCHEMBL22914740 0.81 LMNA (0.46) NPC1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL21397726 0.80 NR1H4 (0.43) NPC1KMT2ARAB9ASMN1; SMN2MAPT
P-Methoxy-Acetophenone SCHEMBL27877610 0.77 MAOB (0.53) NPC1HPGDCES2CES1KMT2A
P-Methoxy-Acetophenone SCHEMBL28250162 0.76 CES2 (0.74) NPC1HPGDKDM4ECES2CES1
P-Methoxy-Acetophenone SCHEMBL41285 0.76 MAPT (0.70) HPGDCES2CES1NPSR1KMT2A

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-2019181714-A1 COMPOUND WHICH INHIBITS TELOMERE-BINDING PROTEIN, AND TELOMERE-BINDING PROTEIN INHIBITOR CONTAINING SAME 国立大学法人広島大学 2019-09-26 WO disclosed