SCHEMBL21391959

SCHEMBL21391959

Cc1ccc(N(c2ccccc2)c2ccc(SCC(C)(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL508028 0.82 HPGD (0.44) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL8944073 0.77 ALDH1A1 (0.45) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL10080198 0.76 ALDH1A1 (0.52) CYP2C19ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL57176 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL13990423 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL13515157 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL12154508 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL261308 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL10109344 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL43023 0.76 ALDH1A1 (0.56) CYP2C19L3MBTL1ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed