SCHEMBL30633255

SCHEMBL30633255

O=C(NCc1cccs1)C1CN(C(=O)O)CCN1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
KMT2A Q03164 1/20 0.52
GLA P06280 1/20 0.50
HPGD P15428 2/20 0.49
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 2/20 0.46
GAA P10253 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
Hydrochloric Acid SCHEMBL21571032 0.99 POLB (0.51) POLBKMT2AGLAHPGDAPEX1
Hydrochloric Acid SCHEMBL21571033 0.99 POLB (0.51) POLBKMT2AGLAHPGDAPEX1
SCHEMBL26016585 0.81 F12 (0.56)
SCHEMBL21579620 0.81 MAPT (0.47) POLBKMT2AGLAHPGDTSHR
SCHEMBL6185437 0.81 GLA (0.49) POLBKMT2AGLAHPGDTSHR
Hydrochloric Acid SCHEMBL21571269 0.80 MAPT (0.46) POLBKMT2AGLAHPGDTSHR
Hydrochloric Acid SCHEMBL30633210 0.80 F12 (0.55)
Hydrochloric Acid SCHEMBL30633207 0.80 MAPT (0.46) POLBKMT2AGLAHPGDTSHR
Hydrochloric Acid SCHEMBL21571265 0.80 MAPT (0.46) POLBKMT2AGLAHPGDTSHR
SCHEMBL22640183 0.77 HPGD (0.65) POLBKMT2AHPGDAPEX1CASP6

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-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed