SCHEMBL9398017

SCHEMBL9398017

O=C(O)C(CSc1cccnc1)N1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 2/20 0.36
MAPT P10636 1/20 0.35
TBXAS1 P24557 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
F2 P00734 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
SCHEMBL1477670 0.88 ALDH1A1 (0.49) ALDH1A1PKMTSHRKDM4ENPC1
SCHEMBL616908 0.76 ALDH1A1 (0.54) ALDH1A1PKMTSHRNPC1SMN1; SMN2
SCHEMBL9398036 0.74 ITGB3 (0.40) ALDH1A1KMT2A
SCHEMBL9258688 0.74 ALDH1A1 (0.61) ALDH1A1PKMTSHRKDM4ESMN1; SMN2
SCHEMBL2011394 0.72 ITGB3 (0.36) ALDH1A1PKMKDM4EKMT2AL3MBTL1
Acetic Acid SCHEMBL28022541 0.71 MTNR1A (0.45) ALDH1A1NPC1SMN1; SMN2RAB9ATBXAS1
SCHEMBL73144 0.70 ALDH1A1 (0.54) ALDH1A1PKMKDM4ESMN1; SMN2KMT2A
SCHEMBL4826685 0.70 CYP11B1 (0.45) ALDH1A1PKMSMN1; SMN2CYP11B1TBXAS1
SCHEMBL44725 0.68 ALDH1A1 (0.50) ALDH1A1PKMNPC1SMN1; SMN2RAB9A
SCHEMBL9398031 0.68 SMN1; SMN2 (0.42) ALDH1A1PKMTSHRNPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329794-B1 METHOD FOR ASSAYING HUMAN LUNG SURFACE ACTIVE SUBSTANCE TEIJIN LTD (JP) 1994-03-30 EP disclosed
EP-0329794-A1 METHOD FOR ASSAYING HUMAN LUNG SURFACE ACTIVE SUBSTANCE TEIJIN LIMITED (JP) 1989-08-30 EP disclosed