SCHEMBL8029377

SCHEMBL8029377

C=C(C(=O)O)C(Br)c1ccccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CXCR2 P25025 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28901571 0.83 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EGAACES2
SCHEMBL6046964 0.76 CES2 (0.39) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL28459741 0.72 SRC (0.45) L3MBTL1ALDH1A1KDM4EGAACXCR2
SCHEMBL5610465 0.71 CES2 (0.61) L3MBTL1ALDH1A1KDM4ECES2CES1
SCHEMBL11613250 0.70 TSHR (0.44) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL11414735 0.70 TSHR (0.44) L3MBTL1ALDH1A1KDM4EGAATSHR
SCHEMBL6047008 0.70 CES2 (0.33) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL7050570 0.69 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4EGAACXCR2
SCHEMBL31561697 0.69 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4EGAACXCR2
SCHEMBL20853408 0.69 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4EGAACXCR2

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-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed