SCHEMBL9631014

SCHEMBL9631014

Clc1ccc(Nc2ccccc2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
HTT P42858 3/20 0.69
GAA P10253 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
ALOX15 P16050 1/20 0.69
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
CNR2 P34972 2/20 0.51
THRB P10828 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CXCR2 P25025 1/20 0.46
MAPK14 Q16539 1/20 0.46
EGFR P00533 1/20 0.45
FADS1 O60427 1/20 0.44

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
SCHEMBL26894571 0.85 L3MBTL1 (0.59) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL6669652 0.83 ALDH1A1 (0.53) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL29267932 0.83 ALDH1A1 (0.69) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL14315671 0.82 ALDH1A1 (0.67) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL15968528 0.82 GAA (1.00) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL25129316 0.80 ALDH1A1 (0.64) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL11217909 0.80 GAA (0.54) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL5545978 0.80 ALDH1A1 (0.46) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL10569201 0.80 JAK2 (0.50) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL15986613 0.80 GAA (0.65) ALDH1A1HTTGAATDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773601-A Controllable oxidation biodegradable plastic and preparation method thereof 王小艺 2021-12-10 CN claimed
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN disclosed
CN-113773601-A Controllable oxidation biodegradable plastic and preparation method thereof 王小艺 2021-12-10 CN disclosed
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed