SCHEMBL9775979

SCHEMBL9775979

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(Cl)cc3nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.37
TOP2B Q02880 4/20 0.37
CYP2C9 P11712 3/20 0.37
LMNA P02545 3/20 0.37
ATP6V1B2 P21281 1/20 0.37
TBXA2R P21731 1/20 0.37
EDNRA P25101 1/20 0.37
TARBP2 Q15633 1/20 0.37
DPP4 P27487 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
EPHA2 P29317 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL9775895 0.86 KMT2A (0.40) TOP2ATOP2BLMNAKMT2AMEN1
SCHEMBL7230355 0.85 LMNA (0.39) TOP2ATOP2BCYP2C9LMNAATP6V1B2
SCHEMBL7235145 0.83 CYP2C9 (0.37) TOP2ATOP2BCYP2C9LMNAATP6V1B2
SCHEMBL5874071 0.82 KEAP1 (0.46) TOP2ATOP2BCYP2C9LMNAATP6V1B2
SCHEMBL7229905 0.82 LMNA (0.55) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL9775919 0.80 LMNA (0.43) CYP2C9LMNAATP6V1B2TBXA2REDNRA
SCHEMBL8942226 0.80 KMT2A (0.46) TOP2ATOP2BCYP2C9LMNAATP6V1B2
SCHEMBL9775916 0.80 ALDH1A1 (0.52) TOP2ATOP2BCYP2C9LMNAATP6V1B2
SCHEMBL6603661 0.79 DPP4 (0.53) TOP2ATOP2BCYP2C9LMNADPP4
SCHEMBL8942165 0.79 EPHA2 (0.37) TOP2ATOP2BCYP2C9LMNAATP6V1B2

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 3 patents. 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
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed