SCHEMBL10514802

SCHEMBL10514802

S=C1NN(c2ccccc2)C=CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.32
KDM4E B2RXH2 4/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
GRK5 P34947 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 6/20 0.31
HPGD P15428 4/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GSK3B P49841 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE7A Q13946 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
SCHEMBL9645245 0.78 GSK3A (0.36) GAARAB9AMEN1KMT2AGSK3B
SCHEMBL9645320 0.68 CFTR (0.32) CFTRKDM4EGAATDP1MAPT
Ammonia Solution, Strong SCHEMBL1065028 0.67 CFTR (0.33) CFTRGAAGSK3B
SCHEMBL9644474 0.64 GSK3A (0.41) CFTRKDM4EGAATDP1MAPT
SCHEMBL1230085 0.63 CFTR (0.59) CFTRKDM4EGAAHPGDRAB9A
SCHEMBL8006411 0.63 GAA (0.33) CFTRGAAMAPTALDH1A1HPGD
SCHEMBL2749647 0.61 CFTR (0.33) CFTRKDM4EGAAALDH1A1HPGD
SCHEMBL9644558 0.60 ALOX5 (0.38) GAARAB9AMEN1KMT2AGSK3B
SCHEMBL4453324 0.60 ALDH1A1 (0.41) KDM4EGAATDP1MAPTGRK5
SCHEMBL4093751 0.59 ALOX5 (0.43) KDM4EGAATDP1MAPTALDH1A1

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
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed