SCHEMBL6979366

SCHEMBL6979366

Cc1cc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.47
RORC P51449 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46

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
SCHEMBL6984817 0.90 NR3C1 (0.54) NR3C1SMN1; SMN2KMT2AMEN1BRD4
SCHEMBL6985317 0.87 NR3C1 (0.58) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6983499 0.86 NR3C1 (0.59) NR3C1SMN1; SMN2KMT2ABRD4CREBBP
SCHEMBL6977969 0.85 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMEN1TP53
Iodide SCHEMBL7948982 0.85 NR3C1 (0.52) NR3C1SMN1; SMN2KMT2AMEN1BRD4
SCHEMBL6979371 0.85 PKM (0.43) NR3C1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL6982229 0.84 NR3C1 (0.60) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6987600 0.84 NR3C1 (0.54) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6985746 0.82 KMT2A (0.56) NR3C1SMN1; SMN2KMT2AMEN1BRD4
SCHEMBL6986216 0.82 KMT2A (0.56) NR3C1SMN1; SMN2KMT2AMEN1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed