SCHEMBL6984116

SCHEMBL6984116

CC1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2N(C(=O)CCc2ccc(C(=N)N)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
POLB P06746 1/20 0.44
NR3C1 P04150 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PLAU P00749 1/20 0.41
HPN P05981 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL6983766 0.99 F2 (0.47) F2F10PRSS1POLBNR3C1
SCHEMBL6984463 0.86 POLB (0.44) POLBNR3C1KDM4ELMNAHDAC4
Hydrochloric Acid SCHEMBL6976392 0.85 KMT2A (0.53) F2NR3C1TMPRSS6KMT2AMEN1
SCHEMBL6982740 0.84 NR3C1 (0.59) F2NR3C1LMNAKMT2AMEN1
SCHEMBL6984122 0.83 F2 (0.42) F2F10PRSS1TMPRSS6HDAC4
Hydrochloric Acid SCHEMBL6980868 0.83 NR3C1 (0.56) F2NR3C1TMPRSS6KMT2AMEN1
Hydrochloric Acid SCHEMBL6981078 0.83 NR3C1 (0.58) F2NR3C1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL6982916 0.83 F2 (0.46) F2F10PRSS1POLBNR3C1
Hydrochloric Acid SCHEMBL6983525 0.81 F2 (0.46) F2F10PRSS1POLBNR3C1
Hydrochloric Acid SCHEMBL7403126 0.78 KMT2A (0.53) POLBNR3C1LMNAKMT2AMEN1

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 7 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
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