SCHEMBL7444335

SCHEMBL7444335

CCOC(=O)CN(C(=O)Oc1ccc2[nH]c(CNc3ccc(C#N)cc3)nc2c1C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 3/20 0.34
PIP4K2A P48426 1/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7445637 0.89 ALDH1A1 (0.39) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7442527 0.88 POLB (0.41) MAPTALDH1A1LMNAPOLBKMT2A
Hydrochloric Acid SCHEMBL7447454 0.86 KLK1 (0.44) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7452192 0.85 NPC1 (0.34) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7394949 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7451792 0.81 IDH1 (0.39) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7441087 0.81 SMN1; SMN2 (0.35) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7448859 0.79 MAPT (0.42) MAPTALDH1A1LMNANPC1MAPK1
SCHEMBL7448750 0.79 PDE2A (0.36) MAPTALDH1A1LMNANPC1MAPK1
Hydrochloric Acid SCHEMBL7161775 0.79 NQO2 (0.45) MAPTALDH1A1LMNANPC1MAPK1

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-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed