SCHEMBL7974288

SCHEMBL7974288

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
MPO P05164 2/20 0.48
RECQL P46063 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
HCRTR1 O43613 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 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
SCHEMBL7977587 0.91 NPC1 (0.58) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7977633 0.88 SMN1; SMN2 (0.56) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7977571 0.86 NPC1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2MPO
SCHEMBL7977544 0.84 LMNA (0.57) KMT2ANPC1RAB9ASMN1; SMN2MPO
SCHEMBL7964015 0.84 EPHX2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7974434 0.84 POLB (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7963947 0.84 RAB9A (0.70) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7974413 0.84 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7980296 0.84 SMN1; SMN2 (0.57) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7980161 0.84 RAB9A (0.50) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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