SCHEMBL7280312

SCHEMBL7280312

N=C(N)c1ccc(NS(=O)(=O)c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
PTGIR P43119 1/20 0.38
AR P10275 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
ITGAV P06756 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
Hydrochloric Acid SCHEMBL7275902 0.93 POLB (0.42) POLBTDP1TMPRSS6PTGIRAR
SCHEMBL7276310 0.88 ITGB3 (0.48) ITGB3ITGA2BALDH1A1SMN1; SMN2ITGAV
SCHEMBL7275113 0.88 ITGB3 (0.48) ITGB3ITGA2BALDH1A1SMN1; SMN2ITGAV
SCHEMBL7273468 0.87 ITGB3 (0.54) ITGB3ITGA2BALDH1A1SMN1; SMN2ITGAV
SCHEMBL7276387 0.87 ITGB3 (0.54) ITGB3ITGA2BALDH1A1SMN1; SMN2ITGAV
SCHEMBL7281368 0.84 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL7283779 0.84 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7275315 0.83 ITGB3 (0.43) ITGB3ITGA2BALDH1A1ITGAVLMNA
SCHEMBL7272558 0.83 ITGB3 (0.42) ITGB3ITGA2BALDH1A1SMN1; SMN2PLAU
SCHEMBL7271733 0.82 AR (0.49) POLBTDP1PTGIRARALDH1A1

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed