SCHEMBL9060407

SCHEMBL9060407

NC=CCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.61
CYP3A4 P08684 3/20 0.61
HTR6 P50406 3/20 0.61
HTR2C P28335 3/20 0.61
CYP2D6 P10635 3/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
HTR7 P34969 2/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.61
NFKB1 P19838 1/20 0.61
CTSK P43235 1/20 0.61
CYP2A13 Q16696 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
PMP22 Q01453 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.58
AHR P35869 1/20 0.58

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
SCHEMBL8742359 0.86 HTR2A (0.61) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL6159296 0.86 HTR2A (0.61) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL4656420 0.85 MEN1 (0.62) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL17732258 0.82 MEN1 (0.58) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL6156912 0.82 MEN1 (0.58) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL11374725 0.82 MEN1 (0.58) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL17732259 0.82 MEN1 (0.58) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL6803427 0.82 MEN1 (0.58) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL10382799 0.81 MEN1 (0.67) HTR2ACYP3A4HTR6HTR2CCYP2D6
SCHEMBL1519983 0.80 HTR2A (0.54) HTR2ACYP3A4HTR6HTR2CCYP2D6

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
JP-8157471-A None JP disclosed
JP-H08157471-A 3-(BENZENESULFONAMIDOALKYL)INDOLE DERIVATIVE TERUMO CORP 1996-06-18 JP disclosed