SCHEMBL7963947

SCHEMBL7963947

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)N1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
NPC1 O15118 5/20 0.70
ALDH1A1 P00352 9/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 4/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL7977556 0.92 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7974500 0.85 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7977587 0.84 NPC1 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1TDP1
SCHEMBL7974288 0.84 KMT2A (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1TDP1
SCHEMBL1415071 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL1415226 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7964019 0.83 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL1415002 0.82 RAB9A (0.97) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7975301 0.82 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7977633 0.81 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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