SCHEMBL20824909

SCHEMBL20824909

C=C(C)Nc1ccsc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PPARG P37231 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
GAA P10253 2/20 0.31
PKM P14618 2/20 0.31
ATM Q13315 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
SCHEMBL13617121 0.79 HPGD (0.48) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10745860 0.73 PKM (0.42) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8008545 0.73 PKM (0.36) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12666514 0.70
SCHEMBL2000603 0.69
SCHEMBL14868498 0.68 PKM (0.33) ALDH1A1GAAPKMPTK2
Hydrochloric Acid SCHEMBL9457659 0.67
SCHEMBL11125037 0.65 HPGD (0.63) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15165518 0.65
SCHEMBL24421201 0.63 HPGD (0.47) HPGDSMN1; SMN2NPC1RAB9AMEN1

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-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed