SCHEMBL9058927

SCHEMBL9058927

O=C(O)Oc1cn(-c2ccc(Cn3cncn3)cc2)c2cc(N3CCN(c4ccccc4F)CC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TOP1 P11387 6/20 0.39
HTT P42858 2/20 0.37
THRB P10828 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8801047 0.95 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9058925 0.91 LMNA (0.56) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802048 0.88 LMNA (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801042 0.87 LMNA (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801646 0.86 THRB (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8802250 0.84 CNR2 (0.36) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801018 0.82 LMNA (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801026 0.81 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8801932 0.81 LMNA (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL8800505 0.81 LMNA (0.37) LMNAKMT2AUSP2SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002533-A1 NOVEL 6- AND 6,8-SUBSTITUTED 1-[4-(1H-1,2,4-TRIAZOL-1-YL METHYL) PHENYL] QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed