SCHEMBL6987763

SCHEMBL6987763

CCOC(=O)CN(c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.47
USP2 O75604 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
KDM1A O60341 4/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
HCRTR2 O43614 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 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
SCHEMBL6985778 0.88 NR3C1 (0.43) NR3C1USP2MAPK1POLBGAA
SCHEMBL6980127 0.87 NR3C1 (0.53) NR3C1POLBKDM1AGAALMNA
SCHEMBL6985993 0.87 NR3C1 (0.46) NR3C1MAPK1POLBKDM1AGAA
SCHEMBL6979171 0.86 USP2 (0.41) NR3C1USP2MAPK1POLBGAA
SCHEMBL6987767 0.86 TP53 (0.42) NR3C1USP2KDM1AGAALMNA
SCHEMBL6982684 0.85 KDM1A (0.43) NR3C1USP2MAPK1KDM1ALMNA
SCHEMBL6977634 0.85 NR3C1 (0.53) NR3C1USP2MAPK1LMNAMAPT
SCHEMBL7407618 0.85 ALDH1A1 (0.44) NR3C1MAPK1KDM1AGAAMAPT
SCHEMBL7958945 0.85 PDK1 (0.41) NR3C1USP2MAPK1GAAMAPT
SCHEMBL6982826 0.84 P2RX7 (0.41) NR3C1KDM1AGAAMAPT

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