SCHEMBL9742171

SCHEMBL9742171

C=CCN1C=CNc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.36
NSD2 O96028 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HCRTR1 O43613 1/20 0.31

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
SCHEMBL8338720 0.77 GAA (0.32) GAA
SCHEMBL8333405 0.71 GAA (0.31) GAA
SCHEMBL8340188 0.71 ALDH1A1 (0.37) KMT2AMEN1MAPK1KDM4EALDH1A1
SCHEMBL2355074 0.67 GAA (0.59) GAAMAPTKMT2AMEN1MAPK1
SCHEMBL4372136 0.66 BRPF1 (0.36) GAAKMT2A
SCHEMBL3120276 0.66 GAA (0.31) GAA
SCHEMBL1598178 0.66 GAA (0.31) GAA
SCHEMBL7345762 0.66 GAA (0.34) GAA
SCHEMBL8336770 0.66 GAA (0.32) GAA
SCHEMBL8664810 0.66 ADRA1D (0.42) GAAMAPTKMT2AMEN1MAPK1

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
US-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP disclosed