SCHEMBL9257046

SCHEMBL9257046

Cc1nccn1CCn1nc(-c2ccc(Cl)c(Cl)c2)c2cnccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
WDR5 P61964 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
NAMPT P43490 2/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL9264220 0.89 KCNH2 (0.37) KCNH2LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL9304161 0.85 HSD17B10 (0.40) LMNAL3MBTL1KMT2AP2RX7ALDH1A1
SCHEMBL9303594 0.80 HRH1 (0.36) KCNH2P2RX7MAPK13MAPK12MAPK11
SCHEMBL9255098 0.80 MAPK1 (0.41) WDR5LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL9303543 0.78 TEAD2 (0.39) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL9304621 0.77 TEAD2 (0.43) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL9255091 0.75 NAMPT (0.33) P2RX7MAPK13MAPK12MAPK11MAPK14
SCHEMBL9257041 0.75 NAMPT (0.34) KCNH2P2RX7MAPK13MAPK12MAPK11
Maleic Acid SCHEMBL8135697 0.72 TEAD2 (0.37) NAMPT
Fumaric Acid SCHEMBL8135703 0.72 TEAD2 (0.37) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US claimed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed