SCHEMBL8255335

SCHEMBL8255335

COc1ccc(NC(=O)C(N)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 2/20 0.54
TGM2 P21980 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KLK7 P49862 2/20 0.52
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SAE1 Q9UBE0 1/20 0.51

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
SCHEMBL16981649 0.86 HTT (0.66) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL31185236 0.84 HTT (0.68) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL29279417 0.84 HTT (0.68) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL10813852 0.83 HTT (0.58) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL2608943 0.81 HTT (0.70) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL28716691 0.81 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL26741222 0.81 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL11645905 0.81 XIAP (0.62) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL26741245 0.81 ALDH1A1 (0.68) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL29410397 0.81 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984930-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY Sugen, Inc. (US) 2000-03-15 EP disclosed
WO-1998050356-A1 2-INDOLINONE DERIVATIVES AS MODULATORS OF PROTEIN KINASE ACTIVITY SUGEN, INC. (US) 1998-11-12 WO disclosed