SCHEMBL9970803

SCHEMBL9970803

CNCCOc1nn2ccccc2c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.41
HTR1D P28221 2/20 0.41
EGFR P00533 1/20 0.38
HTR6 P50406 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL16078200 0.84 EGFR (0.40) EGFRKDM4EALDH1A1
SCHEMBL18937038 0.83 EGFR (0.34) HTR1BEGFRALDH1A1
SCHEMBL1231181 0.81 EGFR (0.40) EGFRALDH1A1
SCHEMBL1840926 0.81 EGFR (0.42) EGFRHTR6KDM4EALDH1A1
SCHEMBL1840855 0.81 KAT2B (0.45) HTR1BEGFRHTR6CHRNB2CHRNA4
SCHEMBL3835527 0.81 EGFR (0.38) EGFRCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1840928 0.80 EGFR (0.39) EGFRALDH1A1
SCHEMBL19688875 0.80 EGFR (0.39) EGFRALDH1A1
Hydrochloric Acid SCHEMBL1151493 0.80 EGFR (0.39) EGFRALDH1A1
Hydrochloric Acid SCHEMBL3318724 0.80 EGFR (0.41) EGFRHTR6KDM4EALDH1A1

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
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed
WO-2012080321-A2 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed