SCHEMBL8800501

SCHEMBL8800501

O=C(O)c1cn(-c2ccc(Cn3cncn3)cc2)c2nc(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
KMT2A Q03164 2/20 0.44
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
GSK3B P49841 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL8800987 0.93 KMT2A (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8800505 0.91 LMNA (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8801785 0.87 LMNA (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8803108 0.86 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8801648 0.85 CSF1R (0.40) LMNACSF1RTOP1
SCHEMBL8801042 0.85 LMNA (0.57) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL8800992 0.84 CYP19A1 (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9058125 0.84 PIM1 (0.39) LMNAKMT2AEPHA2FLT4GSK3B
SCHEMBL8802034 0.82 LMNA (0.40) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL8801716 0.81 LMNA (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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