SCHEMBL24544696

SCHEMBL24544696

Cc1ccc2oc3cc(-c4cc(I)c5c(c4)oc4ccccc45)ccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.41
▸ TNKS O95271 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAPT P10636 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ AHR P35869 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 1/20 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
SCHEMBL24221745 0.87 MAOB (0.43) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL20156784 0.81 MAOB (0.44) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL19911008 0.81 MAOB (0.45) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL12850723 0.80 MAPT (0.52) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL10133855 0.80 MAOB (0.47) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL22725234 0.79 MAOB (0.43) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL9917126 0.79 MAOB (0.50) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL9917127 0.79 MAOB (0.50) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL18382941 0.79 KDM4E (0.53) MAOBMAPTKDM4EMEN1KMT2A
SCHEMBL23278210 0.78 MAPT (0.42) MAOBMAOAMAPTKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022131757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
WO-2022131869-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
Send feedback