SCHEMBL14396014

SCHEMBL14396014

C/N=C(\C)c1csc(-c2cccc(Cl)c2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ESR2 Q92731 1/20 0.38
ABL1 P00519 1/20 0.38
ALOX5 P09917 1/20 0.37
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL14395497 0.88 ATP4A (0.39) BRD4ESR2ABL1ALOX5ATP4A
SCHEMBL276547 0.83 PTPN1 (0.46) BRD4ESR2ABL1ALOX5NPC1
SCHEMBL14395501 0.83 BRD4 (0.40) BRD4ESR2ABL1ALOX5ATP4A
SCHEMBL14395810 0.82 ABL1 (0.36) ABL1ALOX5NPC1RAB9AKMT2A
SCHEMBL27849101 0.77 CHRNA7 (0.42) BRD4ESR2ABL1ALOX5NPC1
SCHEMBL13090192 0.73 NPC1 (0.39) ABL1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13720657 0.71 HSP90AA1 (0.43) NPC1POLBSMN1; SMN2KMT2AGAA
SCHEMBL277107 0.69 ABL1 (0.36) ABL1ALOX5HTR3EHTR3BHTR3A
SCHEMBL277106 0.69 ABL1 (0.36) ABL1ALOX5HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL2641005 0.69 ABL1 (0.35) ABL1ALOX5HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed