SCHEMBL6510596

SCHEMBL6510596

F[B]F.O=C(O)C1=Cc2ccccc2NC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HSD17B3 P37058 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29816130 0.93 MAOA (0.35) MAOAMAOBHSD17B3ALOX15HSD17B10
SCHEMBL980578 0.93 MAOA (0.35) MAOAMAOBHSD17B3ALOX15HSD17B10
Hydrochloric Acid SCHEMBL27489771 0.92 BLM (0.34) MAOAMAOBHSD17B3ALOX15HSD17B10
Hydrochloric Acid SCHEMBL3719374 0.92 BLM (0.34) MAOAMAOBHSD17B3ALOX15HSD17B10
SCHEMBL32670831 0.79 ALDH1A1 (0.42) ALOX15HSD17B10
SCHEMBL28390255 0.78 HSD17B3 (0.40) HSD17B3ALOX15HSD17B10
SCHEMBL715561 0.78 HSD17B10 (0.33) HSD17B3ALOX15HSD17B10
SCHEMBL30366037 0.78 HSD17B3 (0.40) HSD17B3ALOX15HSD17B10
SCHEMBL27719045 0.78 HSD17B3 (0.33) MAOAMAOBHSD17B3ALOX15HSD17B10
SCHEMBL7714810 0.78 TSHR (0.39) MAOAMAOBALOX15HSD17B10

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-2005009970-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GATIFLOXACIN MATRIX LABORATORIES LTD (IN) 2005-02-03 WO claimed
WO-2005009970-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GATIFLOXACIN MATRIX LABORATORIES LTD (IN) 2005-02-03 WO disclosed