SCHEMBL8437801

SCHEMBL8437801

O=C(O)C(CCNS(=O)(=O)c1ccc2ccccc2c1)Sc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KAT6A Q92794 2/20 0.48
CTSS P25774 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
TPSAB1 Q15661 1/20 0.46
CYP19A1 P11511 1/20 0.46
F2 P00734 1/20 0.46
NPY1R P25929 1/20 0.46
NPY5R Q15761 1/20 0.46
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TBXAS1 P24557 1/20 0.44

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
SCHEMBL8442527 0.86 ALDH1A1 (0.49) ALDH1A1LMNAGAASMN1; SMN2PKM
SCHEMBL8442980 0.84 MMP2 (0.47) ALDH1A1LMNAGAAPKMMEN1
SCHEMBL8440592 0.83 ALDH1A1 (0.59) ALDH1A1LMNAGAASMN1; SMN2PKM
SCHEMBL8441482 0.83 ALDH1A1 (0.50) ALDH1A1LMNAGAAKMT2ATBXAS1
SCHEMBL8437964 0.83 L3MBTL1 (0.53) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL8440906 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PKM
SCHEMBL8443157 0.80 MEP1B (0.49) ALDH1A1LMNAGAAKMT2A
SCHEMBL8438771 0.80 KMT2A (0.53) ALDH1A1LMNAGAASLC1A3SLC1A2
SCHEMBL8439057 0.79 VCAM1 (0.56) ALDH1A1LMNASMN1; SMN2PKMMEN1
SCHEMBL8440913 0.79 TBXAS1 (0.51) SLC1A3SLC1A2SLC1A1TBXAS1

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
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed