SCHEMBL7950952

SCHEMBL7950952

CCc1ccc(C(=O)NCCCCCCN2C(=O)CC(S(=O)(=O)O)C2=O)c(SSc2ccccn2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
LMNA P02545 4/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
HTR1A P08908 2/20 0.31
HTR2A P28223 2/20 0.31
DRD3 P35462 2/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8741061 0.86 SMN1; SMN2 (0.32) TP53LMNARAB9ASMN1; SMN2NPC1
SCHEMBL7950954 0.84 SMN1; SMN2 (0.34) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7572269 0.77 HTR1A (0.36) TP53LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4396451 0.70 ALDH1A1 (0.33) SMN1; SMN2NPC1ALDH1A1
SCHEMBL24274155 0.69 HPGD (0.38) LMNAALDH1A1MAPTHPGDKDM4E
SCHEMBL30031578 0.67 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KMT2ADRD3
SCHEMBL346020 0.67 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1KMT2ADRD3
SCHEMBL9136872 0.67 HDAC3 (0.33) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL9136880 0.67 ALDH1A1 (0.34) LMNASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL3483237 0.65

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-2001083696-A2 METHODS FOR RAPID ISOLATION AND SEQUENCE DETERMINATION OF GENE-SPECIFIC SEQUENCES DIGITAL GENE TECH INC (US) 2001-11-08 WO claimed