SCHEMBL19209537

SCHEMBL19209537

O=C(Cc1ccccc1SSc1ccccn1)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
LMNA P02545 3/20 0.36
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL1679369 0.86 LMNA (0.38) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL5133715 0.85 LMNA (0.36) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL28514925 0.83 LMNA (0.45) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL465750 0.81 LMNA (0.37) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL12092095 0.81 LMNA (0.42) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL29352062 0.79 ALDH1A1 (0.44) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL42368 0.79 ALDH1A1 (0.44) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL43414 0.78 POLB (0.41) APOBEC3GEHMT2EHMT1LMNAALDH1A1
SCHEMBL278281 0.78 LMNA (0.39) LMNAALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL5502675 0.77 LMNA (0.36) APOBEC3GEHMT2EHMT1LMNAALDH1A1

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
WO-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed
WO-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed