SCHEMBL8416252

SCHEMBL8416252

COCCNc1ccc(NI)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
KCNH3 Q9ULD8 4/20 0.46
RORC P51449 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
NCF1 P14598 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LDHA P00338 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL8264100 0.81 MAPT (0.67) MAPTGAAKCNH3ALDH1A1SMN1; SMN2
SCHEMBL3062486 0.81 KCNH3 (0.65) MAPTGAAKCNH3ALDH1A1CYP3A4
SCHEMBL7793204 0.79 GAA (0.76) MAPTGAAKCNH3ALDH1A1NPC1
SCHEMBL17963078 0.79 GAA (0.47) MAPTGAAKCNH3ALDH1A1SMN1; SMN2
SCHEMBL19297416 0.79 NPC1 (0.56) MAPTGAAKCNH3ALDH1A1ABCB11
SCHEMBL128126 0.79 MAPT (0.47) MAPTGAAKCNH3RORCALDH1A1
SCHEMBL632952 0.78 KCNH3 (0.62) MAPTGAAKCNH3RORCALDH1A1
SCHEMBL13766294 0.78 MAPT (0.47) MAPTGAAKCNH3RORCALDH1A1
Hydrochloric Acid SCHEMBL9680720 0.78 KCNH3 (0.49) MAPTGAAKCNH3RORCALDH1A1
Hydrochloric Acid SCHEMBL3337783 0.78 KCNH3 (0.49) MAPTGAAKCNH3RORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938605-A1 ENZYMATIC METHOD FOR OVERDYEING CELLULOSIC TEXTILES Novo Nordisk Biochem North America, Inc. (US) 1999-09-01 EP disclosed
WO-1998005816-A1 ENZYMATIC METHOD FOR OVERDYEING CELLULOSIC TEXTILES NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1998-02-12 WO disclosed