SCHEMBL8325596

SCHEMBL8325596

COC(=O)c1[nH]c2c(C)ccc(C)c2c1C=Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL8325590 1.00 MAPT (0.47) MAPTMEN1KMT2ACA1CA2
SCHEMBL8317077 0.83 HPGD (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8321139 0.83 CYP1A2 (0.35) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8322194 0.83 CYP1A2 (0.35) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8321138 0.83 CYP1A2 (0.35) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8321545 0.82 KDM4E (0.44) MAPTMEN1KMT2ACA1ALDH1A1
SCHEMBL8321542 0.82 KDM4E (0.44) MAPTMEN1KMT2ACA1ALDH1A1
SCHEMBL8327963 0.81 GAA (0.46) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8324746 0.80 KDM4E (0.37) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8321417 0.79 CYP1A2 (0.38) MAPTKMT2AALDH1A1RAB9ANPC1

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
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed