SCHEMBL6982230

SCHEMBL6982230

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
TRIM24 O15164 1/20 0.41

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
SCHEMBL6979627 0.90 NR3C1 (0.46) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6987762 0.89 BRD4 (0.48) NR3C1BRD4CREBBPALDH1A1LMNA
SCHEMBL6978010 0.87 BRD4 (0.54) NR3C1BRD4CREBBPSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6977752 0.83 F2 (0.49) NR3C1BRD4CREBBP
SCHEMBL6982740 0.83 NR3C1 (0.59) NR3C1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6981078 0.82 NR3C1 (0.58) NR3C1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6985379 0.81 ALDH1A1 (0.42) NR3C1BRD4CREBBPALDH1A1LMNA
Hydrochloric Acid SCHEMBL6980868 0.80 NR3C1 (0.56) NR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL7403126 0.80 KMT2A (0.53) NR3C1BRD4CREBBPALDH1A1LMNA
SCHEMBL6981976 0.80 NR3C1 (0.44) NR3C1BRD4CREBBPSMN1; SMN2TRIM24

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 3 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
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