SCHEMBL7480839

SCHEMBL7480839

CCC(Sc1nnc(NC(=O)Cc2cccc(F)c2)s1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 0.55
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.49
ABL1 P00519 3/20 0.47
SRC P12931 3/20 0.47
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL7482445 0.83 MAPT (0.63) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7474057 0.76 MAPT (0.61) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7477984 0.76 MAPT (0.56) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7478620 0.74 ITGB3 (0.47) GLSRAB9ASMN1; SMN2PKMNPC1
SCHEMBL7476548 0.74 MAPT (0.54) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7482437 0.74 MAPT (0.53) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7478572 0.73 MAPT (0.57) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7476148 0.72 MAPT (0.61) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL7479785 0.72 POLB (0.48) GLSRAB9ASMN1; SMN2NPC1TP53
SCHEMBL25387786 0.72 ALDH1A1 (0.74) GLSRAB9ASMN1; SMN2PKMNPC1

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 2 patents. 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
WO-1999020618-A1 THIADIAZOLES AMIDES USEFUL AS ANTIINFLAMMATORY AGENTS ACTIVE BIOTECH AB (SE) 1999-04-29 WO disclosed