SCHEMBL10621117

SCHEMBL10621117

O=C(F)n1nnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.64
▸ MGAM O43451 10/20 0.64
▸ AMY1A P0DUB6 10/20 0.64
▸ SI P14410 10/20 0.64
▸ MGAM2 Q2M2H8 10/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ F2 P00734 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ SLC9A1 P19634 1/20 0.64
▸ DGAT1 O75907 1/20 0.61
▸ KCNMA1 Q12791 1/20 0.58
▸ F12 P00748 6/20 0.57
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MIF P14174 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL4250719 0.88 GAA (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.84 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.82 GAA (0.71) GAAMGAMAMY1ASIMGAM2
SCHEMBL1756653 0.82 DGAT1 (0.69) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL10363645 0.81 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL427058 0.81 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL535054 0.81 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL3840404 0.81 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL443991 0.81 GAA (0.64) GAAMGAMAMY1ASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.81 GAA (0.69) GAAMGAMAMY1ASIMGAM2

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-4772695-A DEHYDROHALOGENATION, INSECTICIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1988-09-20 — — US disclosed
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