SCHEMBL25864227

SCHEMBL25864227

N#Cc1ccc(-c2cccc(-c3nc4ccccc4s3)c2)c(-c2cc(C#N)ccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ APP P05067 5/20 0.44
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ PTPN5 P54829 1/20 0.42

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
SCHEMBL25874598 0.90 MEN1 (0.44) RAB9ANFKB1NFKB2RELASMN1; SMN2
SCHEMBL25864381 0.86 RAB9A (0.47) RAB9ANFKB1NFKB2RELASMN1; SMN2
SCHEMBL25864794 0.85 RAB9A (0.56) RAB9ANFKB1NFKB2RELASMN1; SMN2
SCHEMBL25874447 0.85 APP (0.46) RAB9ANFKB1NFKB2RELASMN1; SMN2
SCHEMBL26553228 0.84 CYP1A2 (0.45) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL25875174 0.84 THRB (0.44) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25775360 0.82 CYP1A2 (0.47) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL25775359 0.81 CYP1A2 (0.46) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL26553114 0.80 ABCG2 (0.50) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL25775483 0.80 ABCG2 (0.50) MEN1KMT2AALDH1A1LMNAHSD17B10

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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