SCHEMBL28022693

SCHEMBL28022693

CC=CC(=O)Oc1c(-n2nc3ccccc3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNFRSF1A P19438 1/20 0.33
LMNA P02545 1/20 0.33
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
IGF2BP2 Q9Y6M1 1/20 0.31
THRB P10828 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL9872313 0.85 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
Naphthalene SCHEMBL9872543 0.82 RAB9A (0.47) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9870748 0.81 VCAM1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL5417312 0.81 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL3537498 0.78 HTT (0.40) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL10593219 0.77 VCAM1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9871470 0.77 RXRA (0.36) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9870023 0.75 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2PPARG
SCHEMBL9872532 0.74 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL20494554 0.74 ALOX5 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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
CN-104755556-B Electroconductive polymer/polyanionic complexes organic solvent dispersion, the conductive composition containing the organic solvent dispersion and the conductive film covering as made from the conductive composition 荒川化学工业株式会社 2018-12-14 CN disclosed
CN-104755556-A Organic solvent dispersoid for conductive polymer/polyanion complex, conductive composition containing said dispersoid, and conductive film obtained from said composition ARAKAWA CHEM IND 2015-07-01 CN disclosed