SCHEMBL2442011

SCHEMBL2442011

COc1cccc(OC)c1CNC(=N)Nc1nnc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 5/20 0.33
QPCT Q16769 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
PTPN1 P18031 1/20 0.32
EZH2 Q15910 2/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
Acetic Acid SCHEMBL2378374 0.94 ROCK2 (0.41) ROCK2HIF1AALDH1A1MAPK1HTR3E
SCHEMBL2420870 0.86 QPCT (0.44) ROCK2ALDH1A1QPCTGAAHDAC1
Acetic Acid SCHEMBL2379861 0.82 KMT2A (0.46) ALDH1A1HDAC1HPGD
SCHEMBL2449301 0.80 ROCK2 (0.40) ROCK2HIF1AMAPK1
SCHEMBL2379528 0.80 ROCK2 (0.40) ROCK2HIF1AALDH1A1MAPK1GAA
SCHEMBL2423455 0.75 ROCK2 (0.43) ROCK2HIF1AALDH1A1MAPK1KDM4E
Acetic Acid SCHEMBL2381502 0.75 ROCK2 (0.41) ROCK2HIF1AALDH1A1MAPK1GAA
SCHEMBL2781208 0.75 ROCK2 (0.41) ROCK2HIF1AALDH1A1GAAKDM4E
SCHEMBL2379326 0.75 RAB9A (0.56) GAAKDM4EPKM
SCHEMBL2380133 0.74 ROCK2 (0.41) ROCK2HIF1AALDH1A1MAPK1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed