SCHEMBL7074199

SCHEMBL7074199

CN(C)c1cccc2c(S(=O)(=O)N3CCN(C(=O)Cc4ccc(C(=N)N)cc4)CC3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.58
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
F10 P00742 1/20 0.52
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SPR P35270 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 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
SCHEMBL7075112 0.87 KMT2A (0.59) TGM2KMT2AATMF10F2
SCHEMBL7074867 0.86 TGM2 (0.55) TGM2KMT2AF10F2PRSS1
Acetic Acid SCHEMBL27530351 0.85 KMT2A (0.56) TGM2KMT2AATMF10F2
SCHEMBL17076474 0.82 TGM2 (0.68) TGM2KMT2AATMF10F2
SCHEMBL7071366 0.80 F2 (0.51) KMT2AF10F2PRSS1TPSAB1
SCHEMBL7077596 0.80 TGM2 (0.52) TGM2KMT2AATMGAAPKM
SCHEMBL571878 0.80 TGM2 (0.68) TGM2KMT2AATMF2PRSS1
SCHEMBL29181102 0.78 TGM2 (0.69) TGM2KMT2AATMF10SPR
SCHEMBL18711519 0.77 KMT2A (0.71) TGM2KMT2AATMF2PRSS1
SCHEMBL27571758 0.77 KMT2A (0.71) TGM2KMT2AATMF2PRSS1

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