SCHEMBL11277560

SCHEMBL11277560

C=Cn1cc(C(=O)OCC)c(=O)c2cc(F)c(N3CCNCC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
CYP2C9 P11712 1/20 0.59
ATP6V1B2 P21281 1/20 0.59
TBXA2R P21731 1/20 0.59
EDNRA P25101 1/20 0.59
TARBP2 Q15633 1/20 0.59
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL11026728 0.87 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10521403 0.85 LMNA (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9684577 0.85 LMNA (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11713280 0.83 SMN1; SMN2 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11873463 0.82 CASP1 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5571971 0.82 KMT2A (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11278229 0.82 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11200643 0.81 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11070919 0.81 ALDH1A1 (0.59) LMNACYP2C9KMT2AALDH1A1KDM4E
SCHEMBL11192689 0.80 KMT2A (0.53) LMNAKMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359578-A Naphthyridine derivatives and salts thereof useful as antibacterial agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-11-16 US disclosed
US-4352803-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0009425-B1 NOVEL NAPHTYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1982-01-27 EP disclosed
EP-0009425-A1 Novel naphtyridine derivatives and pharmaceutical compositions containing them Société anonyme dite: LABORATOIRE ROGER BELLON (FR) 1980-04-02 EP disclosed