SCHEMBL7075149

SCHEMBL7075149

Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.48
FPR2 P25090 6/20 0.48
F10 P00742 1/20 0.48
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
MET P08581 1/20 0.41
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
Acetic Acid SCHEMBL27550415 0.97 PROKR1 (0.46) PROKR1FPR2F10MAPTTHRB
SCHEMBL7074432 0.80 HDAC4 (0.47) PROKR1FPR2MAPTTHRBALDH1A1
SCHEMBL7070540 0.78 TSHR (0.54) F10MAPTALDH1A1NPSR1LMNA
SCHEMBL7071435 0.78 KMT2A (0.64) F10MAPTALDH1A1NPSR1LMNA
Acetic Acid SCHEMBL27525156 0.76 HTT (0.52) F10MAPTALDH1A1NPSR1LMNA
SCHEMBL7077254 0.76 F10 (0.66) F10MAPTALDH1A1LMNAGAA
SCHEMBL7071636 0.75 F10 (0.53) F10ALDH1A1LMNAPOLBMEN1
SCHEMBL7077553 0.75 F10 (0.65) F10MAPTLMNAPOLBMEN1
SCHEMBL7076666 0.75 LMNA (0.72) F10MAPTALDH1A1LMNAGAA
SCHEMBL7070621 0.74 MEN1 (0.55) F10MAPTALDH1A1LMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed