SCHEMBL9407622

SCHEMBL9407622

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)c(F)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HPGD P15428 7/20 0.59
HTT P42858 3/20 0.59
KDM4E B2RXH2 9/20 0.58
TDP1 Q9NUW8 5/20 0.58
LMNA P02545 3/20 0.58
POLB P06746 2/20 0.58
GAA P10253 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 3/20 0.55
PMP22 Q01453 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49

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 0.91 HPGD (0.62) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL9407626 0.91 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL8705494 0.90 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL9407620 0.90 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL9407618 0.90 ALDH1A1 (0.61) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL9223089 0.87 KDM4E (0.74) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL8705768 0.86 ALDH1A1 (0.57) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL6308402 0.85 ALDH1A1 (0.81) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL8706968 0.83 KDM4E (0.69) ALDH1A1HPGDHTTKDM4ETDP1
SCHEMBL7539049 0.83 KDM4E (0.55) ALDH1A1HPGDKDM4ETDP1LMNA

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
EP-0610896-A1 Quinolonecarboxylic acid derivatives as antibacterials Senju Pharmaceutical Co., Ltd. (JP) 1994-08-17 EP claimed
EP-0610896-A1 Quinolonecarboxylic acid derivatives as antibacterials Senju Pharmaceutical Co., Ltd. (JP) 1994-08-17 EP disclosed