SCHEMBL7977463

SCHEMBL7977463

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)NCC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PABPC1 P11940 1/20 0.47

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
SCHEMBL7964027 0.82 POLB (0.71) HPGDRXFP1ALDH1A1MAPTNPC1
SCHEMBL7974434 0.82 POLB (0.65) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL7964168 0.81 POLB (0.70) HPGDRXFP1ALDH1A1MAPTNPC1
SCHEMBL7977571 0.80 NPC1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL7974413 0.80 SMN1; SMN2 (0.59) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL7974455 0.79 TSHR (0.61) NPSR1ALDH1A1KDM4EMAPTNPC1
SCHEMBL7977544 0.79 LMNA (0.57) KMT2ARXFP1KDM4EMAPTNPC1
SCHEMBL7977631 0.79 CYP1A2 (0.52) HPGDNPSR1ALDH1A1NPC1RAB9A
SCHEMBL7980318 0.78 HPGD (0.51) HPGDNPSR1ALDH1A1MAPTNPC1
SCHEMBL7980366 0.78 NPSR1 (0.63) HPGDNPSR1KMT2AALDH1A1KDM4E

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