SCHEMBL31034848

SCHEMBL31034848

C[n+]1ccc(C(N)=O)cc1.O=[N+]([O-])[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
NNMT P40261 1/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 2/20 0.42
RCE1 Q9Y256 1/20 0.42
APAF1 O14727 1/20 0.42
RGS12 O14924 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL4381133 0.89 NNMT (0.57) TSHRNNMTCYP3A4KMT2AMEN1
SCHEMBL4830772 0.82 MAPK1 (0.53) LMNASMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL2992214 0.72 TSHR (0.50) TSHRNNMTLMNAGAACYP3A4
Hydrochloric Acid SCHEMBL31124493 0.70 USP2 (0.55) L3MBTL1CA2CA1APOBEC3ACTDSP1
Methyl Alcohol SCHEMBL27858599 0.69 TSHR (0.92) TSHRLMNAGAACYP3A4SMN1; SMN2
SCHEMBL12160935 0.69 TSHR (0.55) TSHRSMN1; SMN2CA2CA1ALDH1A1
SCHEMBL30505 0.69 HPGD (0.46) LMNASMN1; SMN2KMT2AMAPK1MAPT
SCHEMBL12687663 0.69 PARP1 (0.52) TSHRNNMTCYP3A4KMT2AMEN1
Acetic Acid SCHEMBL145430 0.68 MAPK1 (0.47) LMNASMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL260727 0.68 TSHR (1.00) TSHRLMNAGAACYP3A4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4414359-A1 CATALYTIC PROCESS FOR THE PREPARATION OF AMIDES Università di Pisa (IT) 2024-08-14 EP disclosed