SCHEMBL8963472

SCHEMBL8963472

O=c1cc(OC(F)(F)Br)cnn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
NPBWR1 P48145 2/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPK14 Q16539 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HTR2C P28335 2/20 0.38
LMNA P02545 1/20 0.38
HTR2B P41595 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6233458 0.79 MAPK14 (0.57) PTGS1MCHR1MAPK14
SCHEMBL8783353 0.76 PTGS1 (0.45) PTGS1NPBWR1RECQLHSD17B10MCHR1
SCHEMBL8783937 0.75 PTGS1 (0.47) PTGS1NPBWR1RECQLHSD17B10MCHR1
SCHEMBL8784355 0.73 PTGS1 (0.53) PTGS1NPBWR1RECQLHSD17B10MAPT
SCHEMBL19286604 0.72 TSHR (0.53) PTGS1NPBWR1RECQLHSD17B10MAPT
SCHEMBL1691731 0.72 PTGS1 (0.52) PTGS1NPBWR1RECQLHSD17B10MAPT
SCHEMBL8783376 0.72 PTGS1 (0.56) PTGS1NPBWR1RECQLHSD17B10MAPT
SCHEMBL3602607 0.71 PTGS1 (0.46) PTGS1NPBWR1MCHR1ALDH1A1LMNA
SCHEMBL3128916 0.71 PTGS1 (0.46) PTGS1MCHR1ALDH1A1LMNAHPGD
SCHEMBL9299413 0.71 HPGD (0.50) RECQLMAPTTSHRALDH1A1KDM4E

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-8198855-A None JP disclosed
JP-H08198855-A PYRIDAZINONE DERIVATIVE AND VERMIN CONTROLLING AGENT NISSAN CHEM IND LTD 1996-08-06 JP disclosed