SCHEMBL10691744

SCHEMBL10691744

COc1cc(-n2c(=O)n3n(c2=O)CCS(=O)(=O)CC3)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.50
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL10893043 0.86 PPOX (0.58) PPOXALDH1A1MAPTNPSR1RAB9A
SCHEMBL9834077 0.86 PPOX (0.49) PPOXALDH1A1MAPTNPSR1TSHR
SCHEMBL10417526 0.86 PPOX (0.37) PPOX
SCHEMBL10419326 0.85 PPOX (0.38) PPOXHPGD
SCHEMBL10417530 0.81 MAPT (0.39) PPOXALDH1A1MAPTPKMMAPK1
SCHEMBL10881474 0.75 PPOX (0.46) PPOXALDH1A1MAPTNPSR1RAB9A
SCHEMBL10417518 0.73 HPGD (0.32) MAPTTSHRHPGD
SCHEMBL10418588 0.73 ALDH1A1 (0.40) ALDH1A1TP53HTR2AKMT2ANPC1
SCHEMBL11037709 0.73 PPOX (0.53) PPOXALDH1A1MAPTNPSR1RAB9A
SCHEMBL17543889 0.72 PPOX (0.54) PPOXALDH1A1MAPTNPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789394-A PREEMERGENCE, POSTEMERGENCE PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1988-12-06 US claimed