SCHEMBL25038359

SCHEMBL25038359

N#Cc1c(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5ccc5ccccc56)n4)c3)c2)cccc1-c1cccc(-c2ccc3ccc4ccccc4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.41
▸ HSD17B10 Q99714 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ LMNA P02545 4/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL25038451 0.95 PIM1 (0.40) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25038440 0.89 MEN1 (0.42) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25774839 0.89 ALDH1A1 (0.44) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25038447 0.88 PIM1 (0.41) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25038454 0.88 PIM1 (0.43) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25037932 0.88 PIM1 (0.38) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25036006 0.88 PIM1 (0.37) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25038651 0.88 XDH (0.40) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25038376 0.87 XDH (0.40) PIM1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL25621473 0.86 ALDH1A1 (0.45) HSD17B10ALDH1A1MEN1CYP1A2KMT2A

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-2023018267-A1 NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-02-16 — — WO disclosed
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