SCHEMBL13570230

SCHEMBL13570230

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ C1S P09871 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ MAPK1 P28482 2/20 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
SCHEMBL12919933 0.74 AKT1 (0.41) ALDH1A1KMT2APKMATMMAPT
SCHEMBL24648534 0.70 MAOB (0.41) ALDH1A1MAPTL3MBTL1LMNAMAPK1
SCHEMBL25490750 0.68 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL23837641 0.68 NFE2L2 (0.54) ALDH1A1KMT2AKDM4EMAPTTSHR
SCHEMBL24254437 0.66 MEN1 (0.42) ALDH1A1KMT2AATMMAPTLMNA
SCHEMBL6258204 0.66 MEN1 (0.42) ALDH1A1KMT2AATMMAPTLMNA
SCHEMBL22663851 0.66 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL330617 0.65 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTLMNACYP1A2
SCHEMBL23319601 0.65 KMT2A (0.33) ALDH1A1KMT2AMAPTL3MBTL1PRSS1
SCHEMBL10479698 0.65 DEGS1 (0.43) KMT2AATMMAPTLMNAMEN1

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-2133347-A1 1-BIARYLAZETIDINONE DERIVATIVES Teijin Pharma Limited (JP) 2009-12-16 — — EP disclosed
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