SCHEMBL27842045

SCHEMBL27842045

COc1cccc2c(F)c(F)c(F)nc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 5/20 0.48
▸ TNKS2 Q9H2K2 5/20 0.48
▸ PARP2 Q9UGN5 3/20 0.48
▸ KDM4E B2RXH2 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NQO2 P16083 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MCHR1 Q99705 1/20 0.42
▸ JUND P17535 1/20 0.42
▸ FOSB P53539 1/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41

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
SCHEMBL7763515 0.82 NQO2 (0.49) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL24008917 0.75 KDM4E (0.55) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL1564635 0.73 KDM4E (0.65) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL27276202 0.72 CA12 (0.50) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL9370981 0.72 CYP1A2 (0.44) TNKSTNKS2KDM4EALDH1A1PARP1
SCHEMBL27664199 0.71 KDM4E (0.38) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL11195641 0.70 NQO2 (0.50) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL7692125 0.69 KDM4E (0.59) TNKSTNKS2PARP2KDM4EALDH1A1
SCHEMBL26766431 0.69 CRHR1 (0.58) TNKSTNKS2KDM4EALDH1A1HPGD
SCHEMBL3946174 0.69 TNKS (0.45) TNKSTNKS2PARP2KDM4EALDH1A1

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
CN-102198133-B Application of 8-difluoro methoxy fluoroquinolone and composition thereof to tuberculosis treatment INST MEDICINAL BIOTECHNOLOGY 2012-11-21 — — CN disclosed
CN-102198133-B Application of 8-difluoro methoxy fluoroquinolone and composition thereof to tuberculosis treatment INST MEDICINAL BIOTECHNOLOGY 2012-11-21 — — CN disclosed
CN-102198133-A Application of 8-difluoro methoxy fluoroquinolone and composition thereof to tuberculosis treatment INST MED BIOTECHNOLOGY CAMS 2011-09-28 — — CN disclosed
CN-102198133-A Application of 8-difluoro methoxy fluoroquinolone and composition thereof to tuberculosis treatment INST MED BIOTECHNOLOGY CAMS 2011-09-28 — — CN disclosed
Send feedback