SCHEMBL9833146

SCHEMBL9833146

CCOC(=O)Oc1ccnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 3/20 0.48
ALOX12 P18054 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3417583 0.81 POLB (0.50) KMT2AGAASMN1; SMN2MAPTPOLB
SCHEMBL26983243 0.80 POLB (0.46) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL9831108 0.79 PDE4B (0.42) ALDH1A1HPGDKMT2AGAATP53
SCHEMBL13495221 0.78 POLB (0.47) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL9681622 0.78 ALDH1A1 (0.57) ALDH1A1HPGDKMT2AGAATP53
SCHEMBL31467450 0.76 CYP2C9 (0.44) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL2555825 0.74 PDE4D (0.63) ALDH1A1HPGDTP53ALOX12PDE4D
SCHEMBL6057416 0.73 POLB (0.53) ALDH1A1GAASMN1; SMN2POLB
SCHEMBL14973580 0.73 HPGD (0.46) ALDH1A1HPGDKMT2ATP53ALOX12
SCHEMBL9831007 0.73 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E

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-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed