SCHEMBL4088923

SCHEMBL4088923

CCOC(=O)c1c(SCC)nc2cc(F)c(F)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PTPN11 Q06124 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL30680390 0.91 ALDH1A1 (0.39) CFTRNR1H2NR1H3TSHRCYP3A4
SCHEMBL30680350 0.91 ALDH1A1 (0.39) CFTRNR1H2NR1H3TSHRCYP3A4
SCHEMBL3003364 0.91 CFTR (0.39) CFTRMEN1KMT2ANR1H2NR1H3
SCHEMBL3100597 0.90 SMN1; SMN2 (0.40) MEN1KMT2ANR1H2NR1H3TSHR
SCHEMBL8753175 0.90 CFTR (0.39) CFTRMEN1KMT2ANR1H2NR1H3
SCHEMBL4089333 0.84 KMT2A (0.36) MEN1KMT2ANR1H2NR1H3TSHR
SCHEMBL538913 0.83 TSHR (0.48) CFTRMEN1KMT2ANR1H2NR1H3
SCHEMBL3012827 0.81 NR1H2 (0.41) CFTRMEN1KMT2ANR1H2NR1H3
SCHEMBL8753325 0.81 ADORA3 (0.36) CFTRTSHRNPC1MAPTRAB9A
SCHEMBL3111516 0.81 ALOX5 (0.43) MEN1KMT2AMAPTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093268-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE PRULIFLOXACIN IND-SWIFT LABORATORIES LIMITED (IN) 2009-07-30 WO claimed
WO-2009093268-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE PRULIFLOXACIN IND-SWIFT LABORATORIES LIMITED (IN) 2009-07-30 WO disclosed