SCHEMBL8555792

SCHEMBL8555792

Cc1cc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ncc(CO)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.48
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
CLK1 P49759 1/20 0.41
MAPK1 P28482 4/20 0.39
HTT P42858 1/20 0.39
TYK2 P29597 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CTNNB1 P35222 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL8558973 0.79 HPGD (0.44) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL8555923 0.74 PDE2A (0.44) PDE2AKMT2AMEN1ALDH1A1HPGD
SCHEMBL9822430 0.68 PDE2A (0.42) PDE2ANPC1RAB9AKMT2AMEN1
SCHEMBL9822411 0.68 PDE2A (0.42) PDE2ANPC1RAB9AKMT2AMEN1
SCHEMBL10463310 0.66 ALDH1A1 (0.41) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL18122671 0.64 POLB (0.47) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL18459329 0.64 CA2 (0.61) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9842102 0.63 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9841866 0.61 CA2 (0.43) ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL9841876 0.61 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1MAPT

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-0591528-B1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5688949-A CYCLOOXYGENASE INHIBITORS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-11-18 US 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