SCHEMBL8525601

SCHEMBL8525601

CCCC1C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP2C9 P11712 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 2/20 0.43
GAA P10253 2/20 0.43
CDC25A P30304 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
NAPRT Q6XQN6 1/20 0.40

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
Hydrochloric Acid SCHEMBL27717556 0.98 MEN1 (0.42) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL12203852 0.87 OPRM1 (0.46) MEN1KMT2ASLC6A2GAACDC25A
SCHEMBL18399877 0.80 ALDH1A1 (0.48) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL8488571 0.79 ALDH1A1 (0.53) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL31522712 0.75 MAOA (0.47) MEN1KMT2ANPSR1SLC6A2GAA
SCHEMBL9142803 0.75 MAOA (0.47) MEN1KMT2ANPSR1SLC6A2GAA
SCHEMBL17206979 0.74 GAA (0.51) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL29158505 0.74 ALDH1A1 (0.55) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL4599210 0.74 ALDH1A1 (0.48) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL23295125 0.73 LMNA (0.67) MEN1KMT2ACYP1A2CYP2C19NPSR1

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-1999062900-A1 OXINDOLE DERIVATIVES USED AS NEUROKININ RECEPTOR ANTAGONISTS SANOFI-SYNTHELABO (FR) 1999-12-09 WO disclosed