SCHEMBL3417583

SCHEMBL3417583

O=C(O)Oc1ccnn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
P2RY1 P47900 1/20 0.43
CYP2C9 P11712 5/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
RIPK2 O43353 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR3C2 P08235 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP2C18 P33260 2/20 0.40

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
SCHEMBL26983243 0.87 POLB (0.46) POLBP2RY1CYP2C9GAAMAPT
SCHEMBL27304677 0.83 POLB (0.42) POLBP2RY1CYP2C9GAAMAPT
SCHEMBL31467450 0.83 CYP2C9 (0.44) POLBP2RY1CYP2C9GAAMAPT
SCHEMBL9833146 0.81 ALDH1A1 (0.49) POLBGAAMAPTSMN1; SMN2KMT2A
SCHEMBL6057416 0.80 POLB (0.53) POLBCYP2C9GAARAB9ANPC1
SCHEMBL10258998 0.78 POLB (0.47) POLBP2RY1CYP2C9GAANFKB1
SCHEMBL27872921 0.78 POLB (0.47) POLBP2RY1CYP2C9GAAMAPT
SCHEMBL856957 0.74 POLB (0.52) POLBCYP2C9GAAMAPTSMN1; SMN2
SCHEMBL3427273 0.74 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2MAPK1KMT2A
SCHEMBL13495221 0.74 POLB (0.47) POLBCYP2C9GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP claimed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
EP-2002834-A1 Aryl and hetaryl amides as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
EP-2002834-A1 Aryl and hetaryl amides as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed
EP-1517898-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES Zentaris GmbH (DE) 2005-03-30 EP disclosed
WO-2004002965-A1 ARYLCARBONYLPIPERAZINES AND HETEROARYLCARBONYLPIPERAZINES AND THE USE THEREOF FOR TREATING BENIGN AND MALIGNANT TUMOUR DISEASES ZENTARIS GMBH (DE) 2004-01-08 WO disclosed
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed