SCHEMBL6979083

SCHEMBL6979083

O=S(=O)(Nc1ccc2ncccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.74
ALDH1A1 P00352 4/20 0.74
LMNA P02545 3/20 0.74
PKM P14618 1/20 0.60
PKLR P30613 1/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
GLO1 Q04760 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ATM Q13315 1/20 0.59
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PGR P06401 1/20 0.57
NAMPT P43490 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN5 P54829 1/20 0.55
PPARG P37231 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL6985862 0.89 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1LMNAPKMKMT2A
SCHEMBL6978003 0.85 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6978649 0.85 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6982196 0.85 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6981076 0.85 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6980375 0.83 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAPKMTDP1
SCHEMBL6980648 0.83 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAPKMKMT2A
SCHEMBL2055421 0.82 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL1040688 0.82 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL6986051 0.80 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAPKMKMT2A

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 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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed