SCHEMBL8705494

SCHEMBL8705494

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccccc4)CC3)c(F)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
HPGD P15428 8/20 0.61
HTT P42858 5/20 0.61
KDM4E B2RXH2 8/20 0.60
HSD17B10 Q99714 5/20 0.59
PMP22 Q01453 1/20 0.58
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 6/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.48
DRD3 P35462 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 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
SCHEMBL9407637 0.94 HPGD (0.62) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL9407626 0.93 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL9407618 0.92 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL9407620 0.92 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL9407622 0.90 ALDH1A1 (0.59) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL9223089 0.89 KDM4E (0.74) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL10739914 0.83 KDM4E (0.70) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL312380 0.83 KDM4E (0.84) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL312663 0.83 KDM4E (0.70) ALDH1A1HPGDHTTKDM4EHSD17B10
SCHEMBL11185030 0.83 KDM4E (0.71) ALDH1A1HPGDHTTKDM4EHSD17B10

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-0610896-A1 Quinolonecarboxylic acid derivatives as antibacterials Senju Pharmaceutical Co., Ltd. (JP) 1994-08-17 EP claimed
US-5753658-A FOR TREATMENT OF BACTERIAL INFECTIONS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0610896-A1 Quinolonecarboxylic acid derivatives as antibacterials Senju Pharmaceutical Co., Ltd. (JP) 1994-08-17 EP disclosed