SCHEMBL7273502

SCHEMBL7273502

C=CC[C@@H]1C[C@@H](COc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.51
CACNA1B Q00975 2/20 0.40
CACNA1H O95180 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 2/20 0.35
THRB P10828 1/20 0.35
PARP1 P09874 1/20 0.35
PTGIR P43119 1/20 0.34
BRPF1 P55201 1/20 0.34

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
SCHEMBL7283159 0.87 ABCB1 (0.42) MEN1KMT2A
SCHEMBL7274156 0.87 ABCB1 (0.42) MEN1KMT2A
SCHEMBL7282764 0.87 ABCB1 (0.42) MEN1KMT2A
SCHEMBL7271733 0.86 AR (0.49) ARCACNA1BCACNA1HPOLBTDP1
SCHEMBL7274141 0.85 ALDH1A1 (0.40) POLBCYP19A1MEN1MAPTKMT2A
SCHEMBL7276118 0.85 ALDH1A1 (0.40) POLBCYP19A1MEN1MAPTKMT2A
SCHEMBL7282205 0.84 ABCB1 (0.41) MEN1KMT2A
SCHEMBL7281199 0.83 SLC6A2 (0.37) MAPT
SCHEMBL7281548 0.82 FAAH (0.36) POLBMAPT
SCHEMBL7285382 0.82 ABCB1 (0.43) POLBMEN1MAPTKMT2A

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