SCHEMBL6978010

SCHEMBL6978010

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
NR3C1 P04150 16/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6981550 0.90 BRD4 (0.57) BRD4CREBBPNR3C1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6977752 0.89 F2 (0.49) BRD4CREBBPNR3C1
SCHEMBL6982740 0.88 NR3C1 (0.59) NR3C1SMN1; SMN2TP53MAPT
SCHEMBL6979627 0.88 NR3C1 (0.46) BRD4CREBBPNR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL6981078 0.88 NR3C1 (0.58) NR3C1SMN1; SMN2TP53MAPT
SCHEMBL6982230 0.87 NR3C1 (0.47) BRD4CREBBPNR3C1SMN1; SMN2MAPT
Iodide SCHEMBL7959251 0.87 NR3C1 (0.48) BRD4CREBBPNR3C1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6982102 0.87 NR3C1 (0.48) BRD4CREBBPNR3C1SMN1; SMN2
SCHEMBL6977631 0.87 BRD4 (0.56) BRD4CREBBPNR3C1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6980868 0.86 NR3C1 (0.56) NR3C1SMN1; SMN2

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 claimed
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 claimed
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