SCHEMBL24027751

SCHEMBL24027751

C1=Cc2c(oc3cccc(Nc4ccc5c(c4)oc4ccccc45)c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.42
▸ KMT2A Q03164 9/20 0.39
▸ SMN1; SMN2 Q16637 9/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ NPC1 O15118 8/20 0.39
▸ RAB9A P51151 8/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HPGD P15428 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ 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
SCHEMBL21902203 0.87 KMT2A (0.43) DUSP3KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL22591438 0.83 MEN1 (0.36) DUSP3KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL19656443 0.79 DUSP3 (0.53) DUSP3KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL22538374 0.78 ALDH1A1 (0.46) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL12174099 0.74 AHR (0.44) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL12810480 0.74 KDM4E (0.36) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL14295754 0.73 DUSP3 (0.67) DUSP3KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL21226190 0.73 DUSP3 (0.52) DUSP3KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL12241283 0.72 SIGMAR1 (0.38) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL17283499 0.72 KMT2A (0.60) DUSP3KMT2ASMN1; SMN2MEN1NPC1

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-2021230650-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 — — WO disclosed
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