SCHEMBL6981976

SCHEMBL6981976

COC(=O)CCCc1ccc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.44
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
TRIM24 O15164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6979710 0.89 NR3C1 (0.41) NR3C1BRD4CREBBPTRIM24
Hydrochloric Acid SCHEMBL6977752 0.84 F2 (0.49) NR3C1BRD4CREBBP
Hydrochloric Acid SCHEMBL6977280 0.81 NR3C1 (0.61) NR3C1SMN1; SMN2
SCHEMBL6978010 0.81 BRD4 (0.54) NR3C1BRD4CREBBPSMN1; SMN2
SCHEMBL6982740 0.81 NR3C1 (0.59) NR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL6981078 0.80 NR3C1 (0.58) NR3C1SMN1; SMN2
SCHEMBL6982230 0.80 NR3C1 (0.47) NR3C1BRD4CREBBPTRIM24SMN1; SMN2
Hydrochloric Acid SCHEMBL6982102 0.80 NR3C1 (0.48) NR3C1BRD4CREBBPSMN1; SMN2
Iodide SCHEMBL7959251 0.80 NR3C1 (0.48) NR3C1BRD4CREBBPSMN1; SMN2
SCHEMBL6979627 0.79 NR3C1 (0.46) NR3C1BRD4CREBBPTRIM24SMN1; 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 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