SCHEMBL9775927

SCHEMBL9775927

CCOC(=O)c1cn(C)c2nc3c(F)c(N4CCCNCC4)c(F)cc3cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
ATP6V1B2 P21281 1/20 0.42
TBXA2R P21731 1/20 0.42
EDNRA P25101 1/20 0.42
TARBP2 Q15633 1/20 0.42
DYRK1A Q13627 2/20 0.41
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 1/20 0.37
STAT3 P40763 1/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
BRD4 O60885 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9775898 0.97 LMNA (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775892 0.91 LMNA (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9776172 0.88 LMNA (0.49) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775904 0.87 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9786183 0.87 KMT2A (0.42) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9775878 0.86 KDM4E (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775972 0.86 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775877 0.85 ADRB2 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775884 0.84 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942151 0.82 STAT3 (0.45) LMNAKMT2AKDM4EALDH1A1HPGD

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
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed