SCHEMBL8921051

SCHEMBL8921051

CC1CSc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.60
TOP2B Q02880 5/20 0.60
KDM4E B2RXH2 10/20 0.56
ADRA2B P18089 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 8/20 0.55
HPGD P15428 8/20 0.55
HSD17B10 Q99714 8/20 0.55
LMNA P02545 3/20 0.55
ALB P02768 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
AADAT Q8N5Z0 2/20 0.53
POLB P06746 2/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53

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
SCHEMBL10434007 0.89 KDM4E (0.71) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL10434082 0.89 KDM4E (0.71) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9079885 0.87 TOP2A (0.54) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9079887 0.87 TOP2A (0.54) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9080242 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL9080247 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL10999003 0.83 LMNA (0.65) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL10433860 0.82 TOP2A (0.70) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL10433916 0.82 TOP2A (0.70) TOP2ATOP2BKDM4EADRA2BMAPK1
SCHEMBL10727411 0.82 TOP2A (0.70) TOP2ATOP2BKDM4EADRA2BMAPK1

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-5672600-A Antimicrobial dithiocarbamoyl quinolones THE PROCTER & GAMBLE COMPANY (US) 1997-09-30 US disclosed
US-5387748-A Antimicrobial dithiocarbamoyl quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-07 US disclosed
WO-1990004591-A1 NOVEL ANTIMICROBIAL DITHIOCARBAMOYL QUINOLONES NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-05-03 WO disclosed
EP-0366643-A2 Novel antimicrobial dithiocarbamoyl quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP disclosed