SCHEMBL7901766

SCHEMBL7901766

Nc1ccc(-c2scc3c2OCCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.49
CHEK2 O96017 3/20 0.49
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.39
BAZ2B Q9UIF8 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIA2 P42262 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL4145912 0.91 CHEK1 (0.48) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL12185503 0.89 CHEK1 (0.42) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL2597584 0.89 CHEK1 (0.42) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL2635381 0.89 CHEK1 (0.47) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL2597534 0.85 APP (0.49) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL29064104 0.83 CHEK1 (0.43) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL17725525 0.83 CHEK1 (0.46) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL12414590 0.82 CHEK1 (0.42) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL14207872 0.81 CHEK1 (0.43) CHEK1CHEK2ALDH1A1MAPTRAB9A
SCHEMBL14207865 0.80 CHEK1 (0.45) CHEK1CHEK2ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130339-A Electro-active monomers comprised of aniline-thiophene units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-10-10 US claimed
US-6197921-B1 ELECTROCHEMICALLY POLYMERIZED POLYANILINES AND POLYTHIOPHENES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2001-03-06 US disclosed
US-6130339-A Electro-active monomers comprised of aniline-thiophene units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2000-10-10 US disclosed