SCHEMBL7035332

SCHEMBL7035332

CC1=NNC(=O)C1.c1cc2c3cc1C(O2)O3

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
GRIA2 P42262 2/20 0.32
MAOB P27338 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP12 P39900 1/20 0.31
AXL P30530 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
SCHEMBL89524 0.72
SCHEMBL10054021 0.60 MAOB (0.47) ALDH1A1GAAKMT2AMAOB
SCHEMBL7303185 0.60 ALDH1A1 (0.49) ALDH1A1GAAMAPTKMT2ACYP1A2
SCHEMBL28525073 0.59 MAOB (0.40) ALDH1A1MAPTKMT2AMAOBNPSR1
SCHEMBL20749318 0.58 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ANPC1MAOB
SCHEMBL9370171 0.58 CYP2A6 (0.50) KMT2A
SCHEMBL20279531 0.56 AXL (0.67) ALDH1A1GAAMAPTPDE3BPDE3A
SCHEMBL13817385 0.55 USP2 (0.42) ALDH1A1GAABRD4CREBBPNPC1
SCHEMBL9373771 0.55 SIRT2 (0.43) MAPTRAB9AKMT2AMAOBCYP2C19
SCHEMBL138271 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed