SCHEMBL8801700

SCHEMBL8801700

O=C(O)c1cn(-c2ccccc2Cn2ccnc2)c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
HPGD P15428 5/20 0.49
DRD3 P35462 1/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3CG P48736 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MAPT P10636 2/20 0.43
BRD4 O60885 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8801702 0.91 PTGDR2 (0.43) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801021 0.89 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801788 0.89 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801497 0.88 PTGDR2 (0.50) PTGDR2
SCHEMBL8801369 0.86 LMNA (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801642 0.86 LMNA (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801026 0.81 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801793 0.80 CYP19A1 (0.43) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9046458 0.80 LMNA (0.66) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801498 0.79 PTGDR2 (0.48) PTGDR2BRD4

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