SCHEMBL6986016

SCHEMBL6986016

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(Cl)s4)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
NR3C1 P04150 12/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL6985280 0.99 POLB (0.48) POLBTP53SMN1; SMN2LMNANR3C1
SCHEMBL6982819 0.87 POLB (0.50) POLBTP53SMN1; SMN2LMNANR3C1
SCHEMBL6982740 0.84 NR3C1 (0.59) TP53SMN1; SMN2LMNANR3C1MEN1
Hydrochloric Acid SCHEMBL6985252 0.84 NR3C1 (0.47) TP53SMN1; SMN2LMNANR3C1BRD4
Hydrochloric Acid SCHEMBL6981078 0.84 NR3C1 (0.58) TP53SMN1; SMN2LMNANR3C1MEN1
Hydrochloric Acid SCHEMBL6975570 0.83 NR3C1 (0.49) TP53NR3C1BRD4CREBBP
SCHEMBL6977840 0.83 NR3C1 (0.53) TP53SMN1; SMN2LMNANR3C1BRD4
SCHEMBL6986102 0.82 MAPT (0.41) POLBTP53SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL6986046 0.82 NR3C1 (0.52) TP53SMN1; SMN2LMNANR3C1BRD4
Hydrochloric Acid SCHEMBL6980868 0.82 NR3C1 (0.56) SMN1; SMN2NR3C1MEN1KMT2A

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