SCHEMBL8665403

SCHEMBL8665403

CCOC(=O)c1ccc(C2=NC(c3ccccc3OC)(C3(c4ccccc4OC)N=C(c4ccc(C(=O)OCC)cc4)C(c4ccc(C(=O)OCC)cc4)=N3)N=C2c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HSD17B2 P37059 1/20 0.45
PDK2 Q15119 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
P2RX3 P56373 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL2492236 0.86 PDK2 (0.47) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8427318 0.85 PDK2 (0.46) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL1472033 0.84 PDK2 (0.48) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL8427292 0.84 PDK2 (0.46) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8667367 0.83 KMT2A (0.46) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL2496668 0.83 PDK2 (0.50) MAPTMEN1KMT2APDK2SMN1; SMN2
SCHEMBL8665762 0.82 PDK2 (0.44) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8664750 0.80 ALDH1A1 (0.53) MAPTMEN1KMT2APDK2SMN1; SMN2
SCHEMBL25251817 0.79 SYK (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL152089 0.77 CA12 (0.41) KMT2ASMN1; SMN2ALDH1A1KDM4ECA12

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed