SCHEMBL8923299

SCHEMBL8923299

O=c1[nH]c2ccccc2c(O)c1SCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
ALDH1A1 P00352 7/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
PKM P14618 2/20 0.56
POLB P06746 1/20 0.56
IDE P14735 1/20 0.54
MPI P34949 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
RXFP1 Q9HBX9 2/20 0.52
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DAO P14920 3/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48

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
SCHEMBL8923373 0.87 KDM4E (0.74) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8920123 0.84 KDM4E (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8922218 0.84 KDM4E (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8923424 0.83 KDM4E (0.69) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8921296 0.82 KDM4E (0.67) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8920782 0.78 KDM4E (0.73) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8922056 0.76 GRIN1 (0.50) KDM4EALDH1A1MAPTDAOGRIN2D
SCHEMBL5313245 0.74 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8920155 0.72 KDM4E (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17179367 0.72 MAPT (1.00) KDM4EALDH1A1MAPTMEN1KMT2A

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed