SCHEMBL6624272

SCHEMBL6624272

Fc1cccc2c1ccn2N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
FABP4 P15090 1/20 0.40
RHEB Q15382 1/20 0.38
P2RX7 Q99572 1/20 0.36
PRMT5 O14744 1/20 0.36
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
RUNX1 Q01196 1/20 0.32
ATM Q13315 1/20 0.32
CBFB Q13951 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL6624568 0.79 NOTUM (0.44) ALDH1A1HSP90AA1HPGDXBP1ALOX12
SCHEMBL6626313 0.78 HTR2C (0.46) HTR2AHTR2CFABP4RHEBP2RX7
SCHEMBL6626421 0.77 HTR6 (0.39) ALDH1A1HSP90AA1HPGDXBP1ALOX12
SCHEMBL6626210 0.75 HTR6 (0.43) HPGDSLC6A2HTR6
SCHEMBL6624855 0.73 SLC6A2 (0.50) HTR2AHTR2CALDH1A1HPGDHTT
SCHEMBL6624704 0.69 HTR6 (0.56) HTR2AALDH1A1HPGDHTR6
SCHEMBL24721604 0.67 HTR2A (0.46) HTR2AHTR2CFABP4RHEBP2RX7
SCHEMBL2435580 0.67 RHEB (0.66) HTR2AHTR2CFABP4RHEBP2RX7
SCHEMBL30373755 0.67 RHEB (0.66) HTR2AHTR2CFABP4RHEBP2RX7
SCHEMBL3216695 0.67 HTR2A (0.50) HTR2AHTR2CFABP4RHEBP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP disclosed