SCHEMBL8633085

SCHEMBL8633085

Cc1ccc(Nc2cccc3c2CCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CCR4 P51679 1/20 0.50
LMNA P02545 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NISCH Q9Y2I1 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNK2 O95069 1/20 0.44
KCNK10 P57789 1/20 0.44
KCNK18 Q7Z418 1/20 0.44
SHMT2 P34897 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL30505569 0.84 MEN1 (0.50) ALDH1A1CCR4NISCHMEN1KMT2A
SCHEMBL3428962 0.84 MEN1 (0.50) ALDH1A1CCR4NISCHMEN1KMT2A
SCHEMBL3478127 0.83 EGFR (0.53) ALDH1A1CCR4LMNANISCHMEN1
SCHEMBL21625844 0.83 CCR4 (0.53) ALDH1A1CCR4LMNANISCHMEN1
SCHEMBL12101466 0.82 MEN1 (0.56) ALDH1A1CCR4LMNANISCHMEN1
SCHEMBL12377131 0.81 NISCH (0.51) ALDH1A1CCR4NISCHMEN1KMT2A
SCHEMBL19987387 0.80 BCL2L1 (0.47) ALDH1A1CCR4LMNACYP2D6CYP2C19
SCHEMBL21625850 0.80 RAPGEF4 (0.47) ALDH1A1CCR4NISCHMEN1KMT2A
SCHEMBL13291666 0.76 SIRT2 (0.42) ALDH1A1CCR4NISCHMEN1KMT2A
SCHEMBL3366873 0.74 ALDH1A1 (0.54) ALDH1A1CCR4LMNANISCHMEN1

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-5840980-A CHARGE TRANSPORT COMPOUNDS; PHOTORECEPTORS WITH HIGH SENSITIVITY AND DURABILITY HODOGAYA CHEMICAL CO., LTD. (JP) 1998-11-24 US disclosed
US-5707768-A ELECTROCONDUCTIVE SUBSTRATE HAVING A PHOTOSENSITIVE LAYER CONTAINING A BINDER RESIN, A CHARGE GENERATING MATERIAL OR A SENSITIZING DYE AND A DIAMINE COMPOUND THEREON HODOGAYA CHEMICAL CO., LTD. (JP) 1998-01-13 US disclosed