SCHEMBL25490750

SCHEMBL25490750

C=C(C#N)/C=C\C(=C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.38
▸ MAPT P10636 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPC1 O15118 2/20 0.32

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
SCHEMBL19789603 0.81 ALDH1A1 (0.39) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL14275417 0.77 AKT1 (0.37) ALDH1A1MAPTLMNAKMT2AATM
SCHEMBL15810281 0.74 MAOA (0.37) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL9696410 0.74 AKT1 (0.38) ALDH1A1MAPTLMNAKMT2AATM
SCHEMBL3951014 0.73 MAPT (0.48) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL3437188 0.73 MAPT (0.48) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL20365747 0.72 AKT1 (0.37) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL24848866 0.72 BLM (0.41) ALDH1A1MAPTL3MBTL1KMT2APKM
Acrylonitrile SCHEMBL9464615 0.72 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL21060996 0.71 DEGS1 (0.39) ALDH1A1MAPTL3MBTL1LMNAKMT2A

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
EP-4181224-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-05-17 — — EP disclosed
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