SCHEMBL7477767

SCHEMBL7477767

CCCCCCCCNC(=O)CSc1nnc(NC(=O)Nc2cccc(C#N)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.52
MAPT P10636 11/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
BLM P54132 1/20 0.50
LMNA P02545 4/20 0.49
ALOX15 P16050 2/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 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
SCHEMBL7487336 0.87 MAPT (0.60) TP53MAPTRAB9ANPC1BLM
SCHEMBL7473728 0.83 MAPT (0.57) TP53MAPTRAB9ANPC1BLM
SCHEMBL7483748 0.82 BLM (0.63) TP53MAPTRAB9ANPC1BLM
SCHEMBL7478654 0.79 BLM (0.61) TP53MAPTRAB9ANPC1BLM
SCHEMBL7426821 0.79 BLM (0.53) TP53MAPTRAB9ANPC1BLM
SCHEMBL7489229 0.78 BLM (0.55) TP53MAPTRAB9ANPC1BLM
SCHEMBL7481487 0.78 BLM (0.59) TP53MAPTRAB9ANPC1BLM
SCHEMBL7482056 0.77 BLM (0.58) TP53MAPTRAB9ANPC1BLM
SCHEMBL7475135 0.76 BLM (0.62) TP53MAPTRAB9ANPC1BLM
SCHEMBL7475132 0.74 BLM (0.59) TP53MAPTRAB9ANPC1BLM

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 claimed