SCHEMBL9324256

SCHEMBL9324256

COc1ccc(C2=NOCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK2A1 P68400 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
BACE1 P56817 1/20 0.42
NOTUM Q6P988 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL10509909 0.67 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL8475465 0.66 BACE1 (0.46) EGFRBACE1NOTUMLMNAMEN1
SCHEMBL14373829 0.66 NOTUM (0.62) EGFRBACE1NOTUMALDH1A1LMNA
SCHEMBL5385168 0.66 ALDH1A1 (0.44) EGFRBACE1ALDH1A1LMNAMEN1
SCHEMBL6733562 0.65 CA1 (0.79) BACE1ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL197522 0.65 CA1 (0.79) BACE1ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL9151672 0.65 CA1 (0.79) BACE1ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL28896993 0.64 CLK4 (0.44) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL31349179 0.63 PTGS1 (0.85) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL30692648 0.63 CA1 (0.48) EGFRBACE1ALDH1A1LMNAMEN1

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-0583004-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1994-02-16 EP disclosed