SCHEMBL10407448

SCHEMBL10407448

CCCS(=O)(=O)c1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.46
MEP1B Q16820 1/20 0.44
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10407445 0.89 RAPGEF4 (0.44) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL10407436 0.86 RAPGEF4 (0.50) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL11775839 0.85 SMN1; SMN2 (0.43) ALDH1A1MAPTHPGDKMT2ASMN1; SMN2
SCHEMBL7036105 0.83 MEP1B (0.43) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL4394138 0.83 MEP1B (0.43) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL7034776 0.83 MEP1B (0.46) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL3253706 0.82 MEP1B (0.47) RAPGEF4MEP1BALDH1A1MAPTHPGD
SCHEMBL28999306 0.81 CA1 (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL1371763 0.81 CA2 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2GAA
SCHEMBL4390836 0.80 ALDH1A1 (0.43) RAPGEF4MEP1BALDH1A1MAPTHPGD

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-4975516-A CHAIN EXTENDERS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
EP-0325915-A2 Diaminoaryl sulfones, process for their preparation and use in the preparation of polyurethane elastomers BAYER AG (DE) 1989-08-02 EP disclosed
US-3976672-A INSECTICIDE UNIROYAL INC. (US) 1976-08-24 US disclosed