SCHEMBL19618805

SCHEMBL19618805

CSc1ccc(Cc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.46
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TBXA2R P21731 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ VKORC1 Q9BQB6 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL20865459 0.82 NOX1 (0.37) PDK2SLC6A4SLC6A2MEN1KMT2A
SCHEMBL29048843 0.82 PDK2 (0.48) PDK2SLC6A4SLC6A2CYP1A2MLNR
SCHEMBL19216963 0.77 PDK2 (0.49) PDK2SLC5A2HRH3
SCHEMBL25749489 0.75 PDK2 (0.42) PDK2SLC6A4SLC6A2MEN1CYP1A2
SCHEMBL24162744 0.74 PDK2 (0.43) PDK2SLC6A4SLC6A2MLNRNR1I2
SCHEMBL21551909 0.74 PDK2 (0.52) PDK2SLC6A4SLC6A2MEN1CYP1A2
SCHEMBL5054456 0.73 PDK2 (0.56) PDK2SLC6A4SLC6A2CYP1A2MLNR
SCHEMBL28991408 0.73 MAOA (0.42) PDK2SLC6A4SLC6A2MEN1KMT2A
SCHEMBL18708069 0.72 PDK2 (0.39) PDK2SLC6A4SLC6A2MLNRNR1I2
SCHEMBL19842110 0.72 PDK2 (0.48) PDK2SLC6A2MEN1CYP3A4KMT2A

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-9822201-B2 Reflective particle, particle dispersion liquid, display medium, and display device FUJIFILM CORPORATION (JP) 2017-11-21 — — US disclosed
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