SCHEMBL4594650

SCHEMBL4594650

CCCCC(CCCCCCCCCNS(=O)(=O)c1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 1/20 0.56
TBXA2R P21731 2/20 0.56
TSHR P16473 1/20 0.53
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC2 Q92769 1/20 0.46
CASP3 P42574 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4595507 0.87 EPHX2 (0.65) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL4596092 0.87 EPHX2 (0.65) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
Bicarbonate SCHEMBL9491178 0.82 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
Bicarbonate SCHEMBL9492528 0.82 ALDH1A1 (0.74) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL4594047 0.82 CASP3 (0.53) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL5020960 0.81 ALDH1A1 (0.82) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL1279062 0.81 ALDH1A1 (0.82) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL578832 0.81 ALDH1A1 (0.82) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL633906 0.81 ALDH1A1 (0.82) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL578728 0.81 ALDH1A1 (0.82) ALDH1A1LMNAKDM4EPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873200-A1 An improved process for making an external plasticization of aliphatic polyamides and plasticizers useful for said plasticization Arkema France (FR) 2008-01-02 EP disclosed