SCHEMBL6982233

SCHEMBL6982233

N#Cc1ccc(CCC(=O)N2CCCc3c(NS(=O)(=O)c4ccccc4)cccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR3C1 P04150 2/20 0.40
AR P10275 1/20 0.40
SLC16A3 O15427 1/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
LSS P48449 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MMP1 P03956 1/20 0.38
DNMT1 P26358 1/20 0.38
CASP6 P55212 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
SCHEMBL6980157 0.86 F2 (0.43) TDP1METAP2POLB
SCHEMBL6985322 0.86 GAA (0.41) MEN1KMT2ANR3C1ARMETAP2
Hydrochloric Acid SCHEMBL7411475 0.85 F2 (0.44) TDP1METAP2POLB
SCHEMBL6985317 0.82 NR3C1 (0.58) MEN1KMT2ANR3C1SMN1; SMN2
SCHEMBL6976398 0.81 NR3C1 (0.51) TDP1MEN1KMT2ANR3C1AR
SCHEMBL6977969 0.80 NR3C1 (0.56) MEN1KMT2ANR3C1ALDH1A1SMN1; SMN2
SCHEMBL6986976 0.79 ADRB2 (0.58) MEN1KMT2ANR3C1ALDH1A1PKM
SCHEMBL6985749 0.78 ALDH1A1 (0.48) TDP1MEN1KMT2ANR3C1ALDH1A1
SCHEMBL7408050 0.78 TP53 (0.40) MEN1KMT2ANR3C1ALDH1A1PKM
SCHEMBL6982764 0.78 FPR1 (0.43) MEN1KMT2ANR3C1SLC16A3METAP2

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