SCHEMBL7007766

SCHEMBL7007766

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc32)c(Cl)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.58
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
TOP2A P11388 10/20 0.51
TOP2B Q02880 7/20 0.50
PRKD3 O94806 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
RPS6KA3 P51812 1/20 0.49
DYRK1A Q13627 1/20 0.49
PIM3 Q86V86 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.49
LMNA P02545 2/20 0.47

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
SCHEMBL8484204 1.00 TOP1 (0.58) TOP1KMT2AALDH1A1POLBCHRM2
SCHEMBL7009374 0.93 TOP1 (0.59) TOP1KMT2AALDH1A1POLBCHRM2
SCHEMBL7010571 0.93 TOP1 (0.49) TOP1KMT2AALDH1A1POLBCHRM2
SCHEMBL8482062 0.93 TOP1 (0.59) TOP1KMT2AALDH1A1POLBCHRM2
SCHEMBL19729399 0.88 TOP1 (0.57) TOP1KMT2ATOP2ATOP2BPRKD3
SCHEMBL20912605 0.88 TOP1 (0.57) TOP1KMT2ATOP2ATOP2BPRKD3
SCHEMBL7006703 0.87 TOP1 (0.58) TOP1KMT2AALDH1A1POLBCHRM2
SCHEMBL7013177 0.85 LMNA (0.50) TOP1KMT2AALDH1A1TOP2ATOP2B
SCHEMBL8481317 0.84 ALDH1A1 (0.65) TOP1KMT2AALDH1A1TOP2ATOP2B
SCHEMBL7014529 0.84 ALDH1A1 (0.68) TOP1ALDH1A1POLBCHRM2CHRM1

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
EP-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed