SCHEMBL9642003

SCHEMBL9642003

N#CC(=Cc1ccc(C#N)cc1)C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
KMT2A Q03164 6/20 1.00
KDM4E B2RXH2 5/20 1.00
PKM P14618 2/20 1.00
ATM Q13315 1/20 1.00
MAPT P10636 4/20 0.68
MEN1 O00255 2/20 0.68
EGFR P00533 5/20 0.65
ERBB2 P04626 4/20 0.65
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 2/20 0.55
MCL1 Q07820 1/20 0.53
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP3A4 P08684 2/20 0.49
RGS12 O14924 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL20959563 0.89 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL19888568 0.89 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL2957854 0.89 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL2349038 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL2349031 0.84 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL11636362 0.83 ALDH1A1 (0.70) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL13447615 0.82 KMT2A (0.69) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL9364778 0.82 KDM4E (0.71) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL4680326 0.82 KDM4E (0.71) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL4680322 0.82 KDM4E (0.71) ALDH1A1KMT2AKDM4EPKMATM

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
US-5101411-A Semiconductors HITACHI, LTD. (JP) 1992-03-31 US disclosed