SCHEMBL6979627

SCHEMBL6979627

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4CC(=O)O)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.46
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TRIM24 O15164 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 0.90 NR3C1 (0.47) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6978010 0.88 BRD4 (0.54) NR3C1BRD4CREBBPSMN1; SMN2
SCHEMBL6982740 0.88 NR3C1 (0.59) NR3C1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6981078 0.87 NR3C1 (0.58) NR3C1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6977752 0.87 F2 (0.49) NR3C1BRD4CREBBP
Hydrochloric Acid SCHEMBL6980868 0.86 NR3C1 (0.56) NR3C1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6980925 0.83 NR3C1 (0.55) NR3C1BRD4CREBBPSMN1; SMN2
Hydrochloric Acid SCHEMBL6985450 0.82 ADRB2 (0.56) NR3C1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6975570 0.82 NR3C1 (0.49) NR3C1BRD4CREBBPTRIM24
Hydrochloric Acid SCHEMBL6977280 0.82 NR3C1 (0.61) NR3C1MEN1KMT2ASMN1; 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