SCHEMBL25548831

SCHEMBL25548831

Clc1ccc2sc3cc4ccccc4cc3c2n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ SLC40A1 Q9NP59 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ SOD1 P00441 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ GPR3 P46089 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL24056925 0.80 GPR3 (0.48) MAPTKDM4EPTGER4ALDH1A1LMNA
SCHEMBL16693322 0.77 MEN1 (0.42) MAPTKDM4EPTGER4ALDH1A1LMNA
SCHEMBL25548684 0.76 MAPT (0.34) MAPTKDM4EALDH1A1LMNACYP2A6
SCHEMBL11990859 0.74 GPR3 (0.46) MAPTALDH1A1CYP2A6SMN1; SMN2TDP1
SCHEMBL30888167 0.74 GPR3 (0.46) MAPTALDH1A1CYP2A6SMN1; SMN2TDP1
SCHEMBL26423547 0.74 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL25548661 0.73 CYP2A6 (0.34) MAPTKDM4EALDH1A1LMNACYP2A6
SCHEMBL23024715 0.73 KDM4E (0.56) MAPTKDM4EALDH1A1CYP2A6SMN1; SMN2
SCHEMBL16024612 0.72 GPR3 (0.43) MAPTALDH1A1CYP2A6SMN1; SMN2TDP1
SCHEMBL752667 0.72 GPR3 (0.43) MAPTKDM4EALDH1A1CYP2A6SMN1; SMN2

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-2023096465-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 — — WO disclosed
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