SCHEMBL8748472

SCHEMBL8748472

O=C(Oc1cc[c]c2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
JAK2 O60674 1/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PARP1 P09874 1/20 0.48
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TOP1 P11387 1/20 0.40

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
SCHEMBL6289014 0.80 SLC22A6 (0.46) KMT2AESR1MAPTMEN1SMN1; SMN2
SCHEMBL19732700 0.79 ALDH1A1 (0.40) KMT2AESR1ESR2MAPTMEN1
SCHEMBL9776453 0.76 KMT2A (0.40) KMT2AESR1MAPTMEN1SMN1; SMN2
SCHEMBL9472079 0.74 ELANE (0.40) KMT2AMEN1HSD17B10GAATSHR
SCHEMBL30874080 0.73 KMT2A (0.70) KMT2AESR1ESR2MAPTMEN1
SCHEMBL2477732 0.73 KMT2A (0.70) KMT2AESR1ESR2MAPTMEN1
SCHEMBL725404 0.72 KMT2A (0.76) KMT2AESR1ESR2MAPTMEN1
SCHEMBL23212126 0.71 ESR1 (0.84) KMT2AESR1ESR2MAPTMEN1
SCHEMBL1451964 0.71 KMT2A (0.53) KMT2AESR1ESR2MAPTMEN1
SCHEMBL5213229 0.71 AKR1C3 (0.46) KMT2AMAPTMEN1HSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed