SCHEMBL6978038

SCHEMBL6978038

CCOC(=O)N(C)c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35

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
SCHEMBL6985562 0.83 NR3C1 (0.56) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6987762 0.80 BRD4 (0.48) NR3C1BRD4CREBBPSMN1; SMN2MAPT
SCHEMBL6982938 0.80 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2MAPT
SCHEMBL6987626 0.79 NR3C1 (0.64) NR3C1BRD4CREBBPSMN1; SMN2ALDH1A1
SCHEMBL6984139 0.78 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2MAPT
SCHEMBL6981289 0.78 NR3C1 (0.49) NR3C1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6977731 0.77 TP53 (0.45) BRD4CREBBPSMN1; SMN2MAPTALDH1A1
SCHEMBL6977631 0.77 BRD4 (0.56) NR3C1BRD4CREBBPSMN1; SMN2MAPT
SCHEMBL6984100 0.77 TP53 (0.41) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL6985317 0.77 NR3C1 (0.58) NR3C1SMN1; SMN2MAPTLMNATP53

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
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