SCHEMBL23487331

SCHEMBL23487331

Cc1ccccc1-c1nc(Cl)nc2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ TNKS O95271 2/20 0.40
▸ TNKS2 Q9H2K2 2/20 0.40
▸ ADORA2A P29274 1/20 0.38
▸ PIM1 P11309 3/20 0.37
▸ PIM2 Q9P1W9 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL17297448 0.84 LIMK1 (0.37) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL17297520 0.84 ALOX5 (0.43) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL18018265 0.83 LIMK1 (0.36) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL19106492 0.83 ALDH1A1 (0.39) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL18307042 0.83 ALOX5 (0.41) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL30421805 0.81 ALDH1A1 (0.39) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL17297587 0.81 ALDH1A1 (0.39) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL17297462 0.81 LIMK1 (0.36) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL30646362 0.80 ALDH1A1 (0.47) MAPTTNKSTNKS2PIM1PIM2
SCHEMBL16902632 0.80 ALDH1A1 (0.47) MAPTTNKSTNKS2PIM1PIM2

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 — — WO disclosed
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