SCHEMBL29617482

SCHEMBL29617482

CN1CCN(C(=O)Oc2ccc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2D6 P10635 2/20 0.58
MAPK1 P28482 2/20 0.58
AURKA O14965 1/20 0.58
PDPK1 O15530 1/20 0.58
JAK2 O60674 1/20 0.58
GMNN O75496 1/20 0.58
EGFR P00533 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
LYN P07948 1/20 0.58
CHRM2 P08172 1/20 0.58

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
SCHEMBL29617486 1.00 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL13189429 1.00 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL26979927 0.90 LMNA (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL29617510 0.90 LMNA (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL29617484 0.89 MAPT (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL13189425 0.89 KMT2A (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL19128750 0.85 CYP2D6 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL15889784 0.84 EGFR (0.56) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL15889774 0.83 MEN1 (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL29617508 0.83 MAPT (0.70) MEN1KMT2ALMNAALDH1A1MAPT

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-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO claimed
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO disclosed