Aniline

Aniline

SCHEMBL7206451

C=CC(C)OCC1CO1.Nc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MGLL Q99685 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL509361 0.83
SCHEMBL194266 0.73 TDP1 (0.46) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL31624887 0.71 TDP1 (0.44) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL9817537 0.71 TDP1 (0.51) TDP1ALDH1A1GLAMEN1KMT2A
Aniline SCHEMBL10532030 0.70 TDP1 (0.82) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL9235403 0.70 TDP1 (0.50) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL18774477 0.69 ALDH1A1 (0.35) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL2059110 0.69 ALDH1A1 (0.39) TDP1ALDH1A1GLAMEN1KMT2A
Aniline SCHEMBL9226304 0.68 TSHR (0.55) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL20526226 0.68 TDP1 (0.44) TDP1ALDH1A1GLAMEN1KMT2A

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-0869980-B1 REACTIVE DILUENTS FOR ACID CURABLE PHENOLIC COMPOSITIONS BORDEN CHEM INC (US) 2003-02-19 EP claimed