SCHEMBL4754097

SCHEMBL4754097

CC(C)CN(C(=O)O)c1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4750935 0.81 TP53 (0.48) TP53MAPTHPGDALDH1A1POLB
SCHEMBL4267618 0.78 TP53 (0.56) TP53MAPTHPGDALDH1A1MEN1
SCHEMBL4750956 0.75 TP53 (0.33) TP53MAPTALDH1A1POLBCYP1A2
SCHEMBL4101970 0.74 TP53 (0.57) TP53MAPTHPGDALDH1A1HDAC6
SCHEMBL4091250 0.74 TP53 (0.54) TP53MAPTHPGDALDH1A1HDAC6
SCHEMBL4101974 0.74 TP53 (0.57) TP53MAPTHPGDALDH1A1HDAC6
SCHEMBL13981702 0.74 TP53 (0.54) TP53MAPTHPGDALDH1A1HDAC6
SCHEMBL4754100 0.73 TP53 (0.53) TP53MAPTHPGDALDH1A1POLB
SCHEMBL13742508 0.70 TP53 (0.49) TP53MAPTHPGDALDH1A1POLB
SCHEMBL13741983 0.70 TP53 (0.49) TP53MAPTHPGDALDH1A1POLB

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
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed