SCHEMBL24637019

SCHEMBL24637019

O=Cc1cc(Cl)ccc1-c1cccc2c1oc1ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.38
XDH P47989 1/20 0.36
NPC1 O15118 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTAFR P25105 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TNKS O95271 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL24637234 0.90 ERN1 (0.40) ERN1NPC1NPSR1PTPN1KDM4E
SCHEMBL18267698 0.81 ALOX5 (0.51) ERN1PTPN1TNKS
SCHEMBL23350003 0.76 TRIM24 (0.46) ERN1NPC1NPSR1PTPN1KDM4E
SCHEMBL23996441 0.76 KDM4E (0.44) KDM4EKMT2AALDH1A1MEN1TDP1
SCHEMBL25486503 0.76 PRKDC (0.44) NPC1KDM4EALDH1A1RAB9ATDP1
SCHEMBL24636905 0.75 KMT2A (0.39) ERN1NPC1NPSR1KDM4EKMT2A
SCHEMBL24274999 0.74 AHR (0.49) ERN1PTPN1TNKS
SCHEMBL24589837 0.72 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL14141574 0.71 ERN1 (0.43) ERN1XDHNPSR1KDM4EKMT2A
SCHEMBL19992707 0.71 SMN1; SMN2 (0.48) NPC1NPSR1PTPN1KDM4EALDH1A1

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-2022231164-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-11-03 WO disclosed