SCHEMBL7963390

SCHEMBL7963390

N#Cc1ccc(SCCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL6985317 0.87 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6977969 0.85 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53ADRB2
SCHEMBL6980538 0.83 NR3C1 (0.56) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6976883 0.83 NR3C1 (0.38) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6983499 0.82 NR3C1 (0.59) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6985366 0.82 NR3C1 (0.66) NR3C1MAPTTP53LMNA
SCHEMBL6974898 0.82 NR3C1 (0.52) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6984210 0.81 KMT2A (0.55) NR3C1ADRB2ADRB1ADRB3KMT2A
SCHEMBL6982976 0.81 NR3C1 (0.54) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6976398 0.81 NR3C1 (0.51) NR3C1SMN1; SMN2TP53KMT2AMEN1

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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed