SCHEMBL9870477

SCHEMBL9870477

CCN(CC)c1ccc(N2CSCN(c3ccc(N(CC)CC)cc3)C2=S)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 9/20 0.44
TSHR P16473 2/20 0.44
GFER P55789 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 2/20 0.44
PSMD14 O00487 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 9/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL9871534 0.80 POLB (0.47) POLBALDH1A1TSHRGFERL3MBTL1
SCHEMBL9241824 0.74 MAPT (0.54) POLBALDH1A1TSHRGFERL3MBTL1
SCHEMBL9240923 0.73 POLB (0.39) POLBALDH1A1TSHRGFERL3MBTL1
SCHEMBL9238134 0.72 ATM (0.51) POLBALDH1A1TSHRGFERL3MBTL1
SCHEMBL20649419 0.70 POLB (0.46) POLBALDH1A1TSHRGFERL3MBTL1
SCHEMBL1735497 0.68 ALDH1A1 (0.74) ALDH1A1TSHRGFERL3MBTL1CYP3A4
SCHEMBL9872297 0.67 KMT2A (0.41) ALDH1A1KMT2AGAARAB9AMAPT
Hydrochloric Acid SCHEMBL8046146 0.66 ALDH1A1 (0.70) ALDH1A1TSHRGFERL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL8046149 0.66 ALDH1A1 (0.70) ALDH1A1TSHRGFERL3MBTL1CYP3A4
SCHEMBL1972710 0.64 ALDH1A1 (0.67) ALDH1A1TSHRGFERL3MBTL1CYP3A4

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-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP disclosed