SCHEMBL8559130

SCHEMBL8559130

CC(C)(C)c1cc(Nc2c3c(nc4ccnn24)CCC3)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CREBBP Q92793 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.36
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
SCHEMBL8555923 0.72 PDE2A (0.44) POLBALDH1A1MEN1KMT2AMAPK1
SCHEMBL4953186 0.70 HTR2C (0.46) POLBHTR2CHTR2AHTR2BALDH1A1
SCHEMBL7843954 0.69 ALDH1A1 (0.37) POLBALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL4958926 0.67 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1MAPK1
SCHEMBL4958708 0.66 HTR2C (0.47) HTR2CHTR2AHTR2BALDH1A1MAPK1
SCHEMBL4956864 0.65 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1L3MBTL1
SCHEMBL9842102 0.64 ALDH1A1 (0.41) POLBALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL4955856 0.64 HTR2C (0.40) HTR2CHTR2AHTR2BALDH1A1L3MBTL1
SCHEMBL18459329 0.63 CA2 (0.61) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7843808 0.62 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1MEN1

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
EP-0591528-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
EP-0591528-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1994-04-13 EP disclosed