SCHEMBL25422397

SCHEMBL25422397

O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(Cl)c([N+](=O)[O-])c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36

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
SCHEMBL25423675 0.77 HTR2A (0.46) MAPTMEN1KMT2ANQO2MTNR1A
SCHEMBL2533041 0.75 GAA (0.67) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL18509663 0.74 GPR17 (0.53) MAPTMEN1KMT2AGAALMNA
SCHEMBL650217 0.72 MAPT (0.86) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL735125 0.70 MAPT (1.00) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL6675068 0.70 ALDH1A1 (0.61) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL2531516 0.67 GAA (1.00) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL8913853 0.67 GAA (0.73) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL2535334 0.67 GAA (0.73) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL18000215 0.67 PTPRA (0.55) MAPTMEN1KMT2ALMNAALDH1A1

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-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed