SCHEMBL6984843

SCHEMBL6984843

NCc1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
METAP2 P50579 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C1 P04150 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
HTR6 P50406 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6981764 0.92 METAP2 (0.42) GAAMETAP2MEN1ALDH1A1KMT2A
SCHEMBL6982743 0.90 F2 (0.42) GAAMETAP2NR3C1
SCHEMBL6985322 0.89 GAA (0.41) GAAMETAP2HDAC4HDAC1HDAC8
SCHEMBL6982500 0.86 SLC16A3 (0.48) GAATSHRHTR6POLB
SCHEMBL6983505 0.84 NR3C1 (0.42) MEN1ALDH1A1KMT2ANR3C1TSHR
SCHEMBL6987605 0.83 SLC40A1 (0.38) GAAMETAP2MEN1KMT2ANR3C1
SCHEMBL6979371 0.83 PKM (0.43) GAAMETAP2MEN1ALDH1A1KMT2A
SCHEMBL6984821 0.83 TUBB4A (0.40) GAAMETAP2MEN1KMT2ANR3C1
SCHEMBL6984787 0.82 ATM (0.48) HDAC1MEN1ALDH1A1KMT2ANPC1
SCHEMBL6984822 0.82 SLC16A3 (0.40) GAAMETAP2MEN1ALDH1A1KMT2A

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