SCHEMBL25864381

SCHEMBL25864381

N#Cc1c(-c2cccc(-c3nc4ccccc4s3)c2)cccc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.47
▸ KDM4E B2RXH2 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ NFKB1 P19838 4/20 0.47
▸ NFKB2 Q00653 4/20 0.47
▸ RELA Q04206 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ APP P05067 4/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ DUSP3 P51452 1/20 0.41

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
SCHEMBL25864227 0.86 RAB9A (0.44) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL25864794 0.86 RAB9A (0.56) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL25874598 0.84 MEN1 (0.44) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL26553152 0.83 ADORA2A (0.44) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL25864387 0.83 KDM4E (0.50) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL25874447 0.82 APP (0.46) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL25864386 0.81 RAB9A (0.51) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL25774874 0.80 ADORA2A (0.44) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL19369706 0.80 RAB9A (0.65) RAB9AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL22177681 0.80 RAB9A (0.52) RAB9AKDM4EMAPTSMN1; SMN2NPC1

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-2023136586-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 — — WO disclosed
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