SCHEMBL25548767

SCHEMBL25548767

Clc1ccnc2sc3cc4ccccc4cc3c12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL24057409 0.80 AURKA (0.41) MAPTALDH1A1AURKAAURKBLMNA
SCHEMBL25547960 0.76 MAPT (0.40) MAPTALDH1A1CCR1CCR8L3MBTL1
SCHEMBL25175594 0.75 ALDH1A1 (0.41) MAPTALDH1A1CCR1CCR8L3MBTL1
SCHEMBL24296162 0.73 CYP2A6 (0.41) MAPTALDH1A1LMNAMAPK1CYP2A6
SCHEMBL20042621 0.73 ALDH1A1 (0.35) MAPTALDH1A1CCR1CCR8L3MBTL1
SCHEMBL26423558 0.73 CYP2A6 (0.41) MAPTALDH1A1CCR1CCR8L3MBTL1
SCHEMBL25546814 0.71 ROCK1 (0.32) ALDH1A1LMNA
SCHEMBL20137415 0.70 MAPT (0.44) MAPTALDH1A1CCR1CCR8L3MBTL1
SCHEMBL25548684 0.69 MAPT (0.34) MAPTALDH1A1LMNAPMP22CYP2A6
SCHEMBL22311342 0.69 MAPT (0.32) MAPTCYP2A6

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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