SCHEMBL28038183

SCHEMBL28038183

NOc1cccc(CNCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
BCHE P06276 5/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
POLB P06746 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9416030 0.83 CHRM2 (0.71) CHRM2BCHEMEN1KMT2ASCN8A
SCHEMBL10859843 0.82 PDCD1 (0.53) CHRM2MEN1KMT2APDCD1CD274
SCHEMBL14965615 0.81 MEP1B (0.50) CHRM2BCHEMEN1KMT2APOLB
SCHEMBL10011367 0.80 BCHE (0.76) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL14966127 0.80 USP28 (0.62) CHRM2BCHEMEN1KMT2ASCN8A
SCHEMBL30821452 0.80 BCHE (0.76) BCHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL7023370 0.77 ENPP2 (0.47) CHRM2MEN1KMT2APDCD1CD274
SCHEMBL1497920 0.77 PDCD1 (0.46) CHRM2MEN1KMT2APDCD1CD274
SCHEMBL21634316 0.77 BCHE (0.63) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL21634367 0.77 BCHE (0.72) BCHEMEN1KMT2AALDH1A1KDM4E

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
CN-104955358-A Kit for coloring hair UNILEVER NV 2015-09-30 CN disclosed