SCHEMBL9828856

SCHEMBL9828856

CN1CCCc2cccc(CSC(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.39
PTGER2 P43116 4/20 0.39
ALOX12 P18054 1/20 0.37
MCL1 Q07820 2/20 0.36
HTR1A P08908 1/20 0.35
NOTUM Q6P988 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES1 P23141 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL10412817 0.99 PTGER4 (0.38) PTGER4PTGER2ALOX12MCL1HTR1A
SCHEMBL9827964 0.78 ALOX12 (0.40) PTGER4PTGER2ALOX12MCL1HTR1A
SCHEMBL9829802 0.75 ALOX12 (0.40) PTGER4PTGER2ALOX12MCL1HTR1A
SCHEMBL9828732 0.75 ALOX12 (0.40) PTGER4PTGER2ALOX12HTR1ANOTUM
Hydrochloric Acid SCHEMBL9827615 0.74 MEN1 (0.40) PTGER4PTGER2ALOX12HTR1AMEN1
SCHEMBL6643060 0.74 NOTUM (0.44) ALOX12MCL1NOTUMMEN1KMT2A
SCHEMBL10264825 0.73 DRD2 (0.44) PTGER4PTGER2HTR1ANOTUM
SCHEMBL29800852 0.71 NOTUM (0.40) PTGER4PTGER2HTR1ANOTUM
SCHEMBL11837962 0.70 RAB9A (0.47) ALOX12MEN1KMT2ACES1
SCHEMBL13449499 0.69 NOTUM (0.43) PTGER4PTGER2NOTUMMEN1KMT2A

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-0239129-B1 HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed