SCHEMBL8801702

SCHEMBL8801702

O=C(O)Oc1cn(-c2ccccc2Cn2ccnc2)c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
THRB P10828 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TBXAS1 P24557 4/20 0.39
HTR7 P34969 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP19A1 P11511 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8801700 0.91 LMNA (0.51) PTGDR2LMNAMEN1KMT2AKDM4E
SCHEMBL8801026 0.90 LMNA (0.46) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801498 0.89 PTGDR2 (0.48) PTGDR2TBXAS1CYP19A1
SCHEMBL8801793 0.89 CYP19A1 (0.43) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801646 0.86 THRB (0.41) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801373 0.86 PTGDR2 (0.42) PTGDR2THRBLMNAMEN1KMT2A
SCHEMBL8801021 0.81 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801788 0.80 LMNA (0.52) LMNAMEN1KMT2ATBXAS1KDM4E
SCHEMBL9046461 0.80 LMNA (0.52) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801497 0.78 PTGDR2 (0.50) PTGDR2TBXAS1CYP19A1

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-0612731-B1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1997-08-20 EP disclosed
EP-0612731-A1 Novel guinolone and naphthyridone derivatives BAYER AG (DE) 1994-08-31 EP disclosed