SCHEMBL7478620

SCHEMBL7478620

CCC(Sc1nnc(NC(=O)Cc2ccc(C)cc2)s1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGAV P06756 4/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
GLS O94925 8/20 0.46
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7477666 0.80 GLS (0.52) ITGB3ITGAVALDH1A1GLSNPC1
SCHEMBL7475334 0.78 GLS (0.53) ITGB3ITGAVGLSNPC1KMT2A
SCHEMBL7482916 0.78 KMT2A (0.51) ITGB3ITGAVALDH1A1NPC1KMT2A
SCHEMBL7481216 0.77 NPC1 (0.54) ITGB3ITGAVALDH1A1NPC1KMT2A
SCHEMBL7480443 0.76 NPC1 (0.52) ALDH1A1NPC1KMT2ASMN1; SMN2POLB
SCHEMBL7477721 0.76 NPC1 (0.52) ALDH1A1NPC1KMT2ASMN1; SMN2POLB
SCHEMBL7476548 0.75 MAPT (0.54) ITGB3ITGAVNPC1KMT2ASMN1; SMN2
SCHEMBL7480839 0.74 GLS (0.55) ALDH1A1PKMGLSNPC1SMN1; SMN2
SCHEMBL7486396 0.71 SMN1; SMN2 (0.41) ITGB3ITGAVALDH1A1NPC1KMT2A
SCHEMBL21325661 0.71 GLS (0.70) PKMGLSSMN1; SMN2POLBCYP2C9

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-1999020618-A1 THIADIAZOLES AMIDES USEFUL AS ANTIINFLAMMATORY AGENTS ACTIVE BIOTECH AB (SE) 1999-04-29 WO claimed