SCHEMBL7793213

SCHEMBL7793213

COc1ccc2c(c1)C(C(=O)Oc1c(F)ccc(F)c1F)c1c(ccc(OC)c1OS(=O)(=O)C(F)(F)F)N2C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.30
SCN9A Q15858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GNRHR P30968 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
SCHEMBL7796551 0.90 HDAC4 (0.32) MAPTMEN1KMT2A
SCHEMBL7787073 0.82 ALDH1A1 (0.38) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL7793796 0.81 ALDH1A1 (0.33) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12096608 0.78 PRNP (0.39) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL6587836 0.78 DRD2 (0.36) MAPTMEN1KMT2A
SCHEMBL7787045 0.77 HDAC4 (0.39) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL7592395 0.77 TAS1R3 (0.34) MAPTLMNAGAAMEN1KMT2A
SCHEMBL8741716 0.75 SMN1; SMN2 (0.39) MAPTTSHRLMNAGAAALDH1A1
SCHEMBL7795307 0.74 KMT2A (0.34) MAPTTSHRNPSR1LMNAALDH1A1
SCHEMBL14564646 0.74 TAS1R3 (0.34) MAPTNPSR1LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed