SCHEMBL7974436

SCHEMBL7974436

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPK1 P28482 2/20 0.56
KMT2A Q03164 3/20 0.54
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PRNP P04156 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL7977571 0.86 NPC1 (0.53) MAPK1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7977564 0.84 POLB (0.50) ALDH1A1MAPK1KMT2ASMN1; SMN2RAB9A
SCHEMBL7980318 0.81 HPGD (0.51) ALDH1A1MAPK1SMN1; SMN2MAPTHSD17B10
SCHEMBL7980366 0.81 NPSR1 (0.63) ALDH1A1MAPK1KMT2ASMN1; SMN2MAPT
SCHEMBL7977544 0.80 LMNA (0.57) KMT2ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL7974413 0.80 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL7974434 0.78 POLB (0.65) ALDH1A1SMN1; SMN2KDM4EHPGDRAB9A
SCHEMBL7980306 0.77 NPSR1 (0.49) RAB9ANPC1NPSR1GAA
SCHEMBL7975405 0.77 MAPT (0.54) ALDH1A1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL7977587 0.77 NPC1 (0.58) ALDH1A1KMT2ASMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed