SCHEMBL7274544

SCHEMBL7274544

C=CC[C@@H]1C[C@@H](COS(C)(=O)=O)N(CCc2cccc3ccccc23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SLC18A2 Q05940 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
NQO2 P16083 1/20 0.37
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL7275582 0.84 MAPT (0.42) MAPTSLC18A2TDP1KDM4ENPC1
SCHEMBL7281089 0.84 MAPT (0.42) MAPTSLC18A2TDP1KDM4ENPC1
SCHEMBL7281928 0.84 F2 (0.36) KMT2AALDH1A1
SCHEMBL7279479 0.83 MAPT (0.36) MAPTSLC18A2TDP1KDM4ENPC1
SCHEMBL7274612 0.83 HRH3 (0.36) ALDH1A1
SCHEMBL7274866 0.80 CHRNB4 (0.38)
SCHEMBL7285178 0.80 ADRA1D (0.40) MAPTSLC18A2TDP1KDM4ENPC1
SCHEMBL7275714 0.79 FAAH (0.39)
SCHEMBL7273490 0.77 F2 (0.37) MAPTNPSR1ALDH1A1HSD17B10
SCHEMBL7275083 0.77 ALOX12 (0.34) KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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