SCHEMBL7486396

SCHEMBL7486396

CCC(Sc1nnc(N)s1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7479429 0.85 HPGD (0.49) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL7483116 0.83 ALDH1A1 (0.44) SMN1; SMN2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7480458 0.75 HPGD (0.45) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL7487235 0.74 HPGD (0.47) SMN1; SMN2HPGDHSD17B10ALDH1A1KMT2A
SCHEMBL7477666 0.73 GLS (0.52) SMN1; SMN2HSD17B10ALDH1A1ITGB3ITGAV
SCHEMBL7482916 0.72 KMT2A (0.51) SMN1; SMN2KDM4EALDH1A1ITGB3ITGAV
SCHEMBL7475334 0.72 GLS (0.53) SMN1; SMN2ITGB3ITGAVKMT2ANPC1
SCHEMBL7478620 0.71 ITGB3 (0.47) SMN1; SMN2ALDH1A1ITGB3ITGAVKMT2A
SCHEMBL7481216 0.71 NPC1 (0.54) SMN1; SMN2KDM4EALDH1A1ITGB3ITGAV
SCHEMBL11389834 0.70 ALDH1A1 (0.49) SMN1; SMN2KDM4EHPGDHSD17B10ALDH1A1

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-1999020617-A1 ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed