SCHEMBL7991909

SCHEMBL7991909

CCCS(=O)(=O)NC(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.55
GAA P10253 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2R P25116 1/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL7987848 0.89 HPGD (0.61) HPGDPOLBGAAHDAC3HDAC1
SCHEMBL7990897 0.83 F2R (0.46) HPGDPOLBGAAKDM4EALDH1A1
SCHEMBL7983472 0.83 FLT1 (0.52) HPGDPOLBGAAALDH1A1MEN1
SCHEMBL7990936 0.81 HPGD (0.55) HPGDPOLBALDH1A1KMT2AF2R
SCHEMBL7973458 0.81 ALDH1A1 (0.49) HPGDKDM4EALDH1A1KMT2AF2R
SCHEMBL7973398 0.79 KCNA5 (0.41) HPGDGAAKDM4EALDH1A1MEN1
SCHEMBL7987112 0.79 CTSD (0.58) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL365236 0.78 HPGD (0.65) HPGDPOLBGAAALDH1A1MEN1
SCHEMBL7984835 0.78 HCRTR1 (0.60) HPGDGAAKDM4EALDH1A1MEN1
SCHEMBL7973501 0.77 PTPN1 (0.53) HPGDGAAHDAC3HDAC1HDAC2

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed