SCHEMBL9871008

SCHEMBL9871008

CC(C)CC(C)Nc1ccc(N2CSCN(c3ccc(NC(C)CC(C)C)cc3)C2=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9871150 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL9238458 0.75 ATM (0.45) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL144947 0.74 ALDH1A1 (0.73) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL1417898 0.69 ALDH1A1 (0.61) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL9933293 0.69 ALDH1A1 (0.85) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL9872297 0.68 KMT2A (0.41) ALDH1A1ALOX15HSD17B10TP53SMN1; SMN2
SCHEMBL9238414 0.68 ALDH1A1 (0.47) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL24564966 0.67 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL9511506 0.67 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHIF1A
SCHEMBL13996001 0.67 ALDH1A1 (0.63) ALDH1A1CYP3A4ALOX15TSHRHIF1A

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