SCHEMBL25433129

SCHEMBL25433129

C=C(CC)C(=O)Nc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.52
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BCHE P06276 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
EPHX1 P07099 1/20 0.45
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
STAT3 P40763 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15661401 0.81 MAPT (0.53) RAB9AL3MBTL1KDM4ESMN1; SMN2EPHX1
SCHEMBL5034247 0.80 POLB (0.55) RAB9AL3MBTL1KDM4ESMN1; SMN2HTT
SCHEMBL202170 0.79 RXFP1 (0.58) MDM2RAB9AL3MBTL1KDM4EBCHE
SCHEMBL334233 0.77 BCHE (0.61) MDM2RAB9AL3MBTL1KDM4EBCHE
SCHEMBL18920315 0.77 MDM2 (0.59) MDM2RAB9AL3MBTL1KDM4EBCHE
SCHEMBL24324494 0.76 HTT (0.58) RAB9AL3MBTL1LMNASMN1; SMN2HTT
SCHEMBL13589544 0.75 MDM2 (0.61) MDM2RAB9AL3MBTL1KDM4EBCHE
SCHEMBL11534363 0.74 MAPT (0.66) MDM2RAB9AL3MBTL1BCHELMNA
SCHEMBL28787047 0.72 MDM2 (0.64) MDM2RAB9AL3MBTL1KDM4EBCHE
SCHEMBL26785462 0.72 NPC1 (0.46) RAB9AL3MBTL1KDM4ESMN1; SMN2HTT

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-4065616-B1 POLYMER CONETWORKS OF POLY(PYRIDINE-(METH)-ACRYLAMIDE) DERIVATIVES-CROSSLINKED BY TRANSITION METAL IONS- AND LINKED BY POLYDIMETHYLSILOXANE DERIVATIVES LUXEMBOURG INST SCIENCE & TECH LIST (LU) 2023-08-23 EP disclosed
CN-114761447-A Polymer networks of poly (pyridine- (meth) -acrylamide) derivatives crosslinked by transition metal ions and linked by polydimethylsiloxane derivatives 卢森堡科学技术研究院 2022-07-15 CN disclosed