SCHEMBL6986102

SCHEMBL6986102

N=C(N)c1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccc(Cl)s4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 5/20 0.38
POLB P06746 2/20 0.38
F2 P00734 2/20 0.37
TP53 P04637 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 3/20 0.36

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
SCHEMBL6982821 0.86 MAPT (0.41) MAPTNPC1RAB9ANPSR1MCOLN3
SCHEMBL6982743 0.85 F2 (0.42) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6984822 0.83 SLC16A3 (0.40) MAPTMCOLN3ALDH1A1LMNAPOLB
SCHEMBL6986016 0.82 POLB (0.49) LMNAPOLBTP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6985280 0.82 POLB (0.48) LMNAPOLBTP53SMN1; SMN2MEN1
SCHEMBL6982528 0.80 MRGPRX1 (0.47) MAPTLMNAF2TP53PLG
SCHEMBL6984843 0.75 GAA (0.43) NPC1RAB9AALDH1A1POLBMEN1
SCHEMBL6982500 0.73 SLC16A3 (0.48) POLBF10
SCHEMBL6981764 0.73 METAP2 (0.42) MAPTMCOLN3ALDH1A1LMNASMN1; SMN2
SCHEMBL6980157 0.72 F2 (0.43) POLBF2PLGPRSS1TPSAB1

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 6 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
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
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