SCHEMBL8987625

SCHEMBL8987625

O=C(Cl)OCC1c2ccccc2-c2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KMT2A Q03164 3/20 0.42
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NTRK1 P04629 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CTSL P07711 1/20 0.35
PTPRC P08575 1/20 0.35
CTSS P25774 1/20 0.35
PTPN13 Q12923 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL27547 0.83 KMT2A (0.55) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL29349891 0.83 KMT2A (0.55) EPHX2KMT2AFABP5FABP7CA1
Hydrochloric Acid SCHEMBL810434 0.82 KMT2A (0.54) EPHX2KMT2AFABP5FABP7CA1
Ammonia Solution, Strong SCHEMBL27794450 0.82 KMT2A (0.54) EPHX2KMT2AFABP5FABP7CA1
Acetonitrile SCHEMBL29013970 0.75 KMT2A (0.48) EPHX2KMT2AFABP5FABP7CA1
Ortho-Phthalaldehyde SCHEMBL29008730 0.74 KMT2A (0.47) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL8101665 0.74 FABP5 (0.49) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL7594932 0.73 FABP5 (0.51) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL9449543 0.72 EPHX2 (0.42) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL24108959 0.72 EPHX2 (0.45) EPHX2KMT2AFABP5FABP7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400972-B1 Fluorescent degree of cure monitors MINNESOTA MINING & MFG (US) 1996-07-03 EP disclosed
US-5182316-A Forming a UV-detectable fluorophore in a mixture of hydride containing silicone, unsaturated silicone, cationically sensitive compound and a latent dibenzofulvene MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-26 US disclosed
US-5118559-A Dibenzofulvene compound MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-06-02 US disclosed
US-5047444-A Hydrosilatable polysiloxanes, unsaturated compounds and a dibenzofulvene chromogen; coatings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-10 US disclosed
EP-0400972-A2 Fluorescent degree of cure monitors MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-05 EP disclosed