SCHEMBL7501007

SCHEMBL7501007

Cc1ccc2ccn(S)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
CYP1A2 P05177 5/20 0.44
CYP2A6 P11509 4/20 0.44
HTR7 P34969 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
P2RX7 Q99572 1/20 0.37
FABP4 P15090 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NCK1 P16333 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL15241824 0.78 HTR2A (0.51) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL171810 0.76 CYP2A6 (0.55) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL16887870 0.74 HTR2C (0.50) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL20614498 0.74 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL27987689 0.74 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL28022326 0.74 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL28027731 0.74 HTR2A (0.47) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL20807250 0.71 HTR2C (0.61) HTR2AHTR2CHTR7MAPTRXFP1
SCHEMBL13183604 0.71 HTR2A (0.45) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL10193356 0.71 HTR2C (0.62) HTR2AHTR2CCYP1A2CYP2A6HTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915870-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2002-09-25 EP disclosed
US-6228877-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-05-08 US disclosed
EP-0915870-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
WO-1998004551-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1998-02-05 WO disclosed