SCHEMBL9965006

SCHEMBL9965006

CCCc1c[nH]c2c(C)ccc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SOS2 Q07890 1/20 0.36
SKP2 Q13309 1/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NOS2 P35228 1/20 0.31
HTR1A P08908 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
SCHEMBL9937445 0.85 HTR2A (0.40) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL9938181 0.83 HTR2A (0.38) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL26451448 0.77 HTR2A (0.34) HTR2AMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL25842177 0.76 CYP19A1 (0.35) HTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL6282571 0.74 HTR2A (0.60) HTR2AMAPTSMN1; SMN2NPSR1HTR1D
SCHEMBL26451484 0.73 HTR2A (0.44) HTR2AHTR1A
Hydrochloric Acid SCHEMBL7816091 0.72 NPSR1 (0.61) HTR2AMAPTSMN1; SMN2NPSR1HTR1D
SCHEMBL20553126 0.69 TNF (0.44) HTR2AMAPTNPSR1SOS2KDM4E
SCHEMBL8055335 0.69 HTR2A (0.73) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL26451454 0.69 HTR2C (0.43) HTR2AMAPTNPSR1KDM4EHTR1D

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-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2012-06-21 WO disclosed