SCHEMBL7338982

SCHEMBL7338982

N#CN=C(NCc1ccccc1)Nc1cccc(C(=O)NCC(=O)Nc2ccccc2CCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 6/20 0.46
PPARG P37231 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
MDM2 Q00987 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7338973 1.00 SENP1 (0.46) SENP1PPARGSIRT2ALDH1A1L3MBTL1
SCHEMBL7383610 0.92 KCNK3 (0.48) SENP1PPARGSIRT2ALDH1A1L3MBTL1
SCHEMBL7383607 0.92 KCNK3 (0.48) SENP1PPARGSIRT2ALDH1A1L3MBTL1
SCHEMBL7345956 0.91 KCNK3 (0.45) SENP1L3MBTL1LMNAKCNK3KCNK9
SCHEMBL7346968 0.91 KCNK3 (0.45) SENP1L3MBTL1LMNAKCNK3KCNK9
SCHEMBL7350687 0.90 KCNK3 (0.44) SENP1ALDH1A1L3MBTL1LMNAKCNK3
SCHEMBL7350667 0.90 KCNK3 (0.44) SENP1ALDH1A1L3MBTL1LMNAKCNK3
SCHEMBL7453653 0.81 PPARG (0.54) SENP1PPARGALDH1A1MAPK1LMNA
SCHEMBL7372795 0.81 PPARG (0.54) SENP1PPARGALDH1A1MAPK1LMNA
SCHEMBL7338985 0.81 ITGB3 (0.47) SENP1ALDH1A1L3MBTL1MAPK1LMNA

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed