SCHEMBL6987762

SCHEMBL6987762

CCOC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
NR3C1 P04150 10/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
TRIM24 O15164 3/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL6982230 0.89 NR3C1 (0.47) BRD4CREBBPNR3C1SMN1; SMN2ALDH1A1
SCHEMBL7960284 0.87 NR3C1 (0.47) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6977631 0.87 BRD4 (0.56) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6984100 0.87 TP53 (0.41) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL6977885 0.83 NR3C1 (0.48) BRD4CREBBPNR3C1SMN1; SMN2TRIM24
SCHEMBL6985317 0.82 NR3C1 (0.58) NR3C1SMN1; SMN2LMNAMAPTTP53
SCHEMBL6976282 0.81 TP53 (0.44) BRD4CREBBPNR3C1SMN1; SMN2ALDH1A1
SCHEMBL6985746 0.81 KMT2A (0.56) BRD4CREBBPNR3C1SMN1; SMN2ALDH1A1
SCHEMBL6977969 0.80 NR3C1 (0.56) NR3C1SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6978038 0.80 NR3C1 (0.42) BRD4CREBBPNR3C1SMN1; SMN2ALDH1A1

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