SCHEMBL8801646

SCHEMBL8801646

O=C(O)Oc1cn(-c2ccccc2Cn2cncn2)c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
MC4R P32245 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
SCHEMBL8801642 0.91 LMNA (0.51) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL8801047 0.89 LMNA (0.46) THRBLMNAMEN1KMT2APOLB
SCHEMBL8802048 0.88 LMNA (0.42) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801702 0.86 PTGDR2 (0.43) THRBLMNAMEN1KMT2APOLB
SCHEMBL9058927 0.86 LMNA (0.45) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801373 0.86 PTGDR2 (0.42) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801042 0.80 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802046 0.79 LMNA (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9046461 0.79 LMNA (0.52) THRBLMNAMEN1KMT2APOLB
SCHEMBL8801026 0.78 LMNA (0.46) THRBLMNAMEN1KMT2APOLB

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