SCHEMBL25846387

SCHEMBL25846387

Nc1ccc(N2CCC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.60
CRBN Q96SW2 2/20 0.60
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL78465 0.87 ALDH1A1 (0.65) DDB1CRBNALDH1A1NPC1TP53
SCHEMBL85175 0.85 ALDH1A1 (0.58) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL30962721 0.85 KMT2A (0.56) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL85591 0.84 ALDH1A1 (0.57) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL10973333 0.82 DDB1 (0.51) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL85673 0.81 ALDH1A1 (0.50) DDB1CRBNALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9819431 0.81 DDB1 (0.50) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL4733957 0.80 IDO1 (0.50) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL18805067 0.80 RAB9A (0.51) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL12615119 0.80 RAB9A (0.51) ALDH1A1MAPTKDM4EKMT2AGAA

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
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed