SCHEMBL8084879

SCHEMBL8084879

O=C(CSc1ccnc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 5/20 0.50
HTT P42858 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
GMNN O75496 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CMKLR1 Q99788 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PRNP P04156 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43

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
SCHEMBL8084836 0.80 ALDH1A1 (0.54) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL1147520 0.79 KDM4E (0.65) ALDH1A1HPGDKDM4EPOLBKMT2A
SCHEMBL8088268 0.77 HSD17B10 (0.50) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL8088063 0.75 CYP1A2 (0.46) ALDH1A1POLBKMT2ALMNAMEN1
SCHEMBL8076758 0.74 CYP1A2 (0.47) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL8084078 0.74 CYP1A2 (0.58) ALDH1A1MAPTHTTKDM4EPOLB
SCHEMBL8084757 0.73 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL8084097 0.73 HTR2C (0.48) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL8084739 0.73 ALDH1A1 (0.60) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL8084741 0.73 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHTTKDM4E

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
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed