SCHEMBL21987008

SCHEMBL21987008

O=C(c1cccnc1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 2/20 1.00
ALDH1A1 P00352 3/20 0.66
PKM P14618 1/20 0.64
LMNA P02545 2/20 0.64
USP2 O75604 1/20 0.64
ABL1 P00519 1/20 0.64
TSHR P16473 1/20 0.64
RIN1 Q13671 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.56

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
SCHEMBL29691773 0.85 MEN1 (0.74) MEN1KMT2AMAPTALDH1A1PKM
Hydrochloric Acid SCHEMBL29550095 0.84 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL21987068 0.84 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9763711 0.84 PKM (0.74) MEN1KMT2AMAPTALDH1A1PKM
Hydrochloric Acid SCHEMBL1596692 0.82 PKM (0.72) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL631760 0.82 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL21987073 0.82 MAPT (0.69) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL21987023 0.82 MAPT (0.69) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL9640576 0.80 KMT2A (0.67) MEN1KMT2AMAPTALDH1A1PKM
Hydrochloric Acid SCHEMBL30041301 0.80 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1PKM

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-2020109233-A2 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES FORSCHUNGSZENTRUM JÜLICH GMBH FACHBEREICH PATENTE (R-P) (DE) 2020-06-04 WO disclosed
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP disclosed