SCHEMBL9239787

SCHEMBL9239787

CCCCCC(C)(C)N1CN(c2ccc(NC(C)C)cc2)CN(c2ccc(NC(C)C)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 3/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9243090 0.84 MAPT (0.35) MAPTATM
SCHEMBL9240992 0.82 MAPT (0.38) MAPTSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL9241807 0.80 GAA (0.38) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9242374 0.80 MAPT (0.35) MAPTSMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL9245105 0.77 MEN1 (0.35) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9871503 0.77 KDM4A (0.33) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9242170 0.67 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5358581 0.66 TSHR (0.38) THRBTSHR
SCHEMBL12965949 0.65 ALDH1A1 (0.42) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL24590408 0.65 MAPT (0.59) MAPTSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278890-B1 Non-staining and slightly-staining antiozonants GOODYEAR TIRE & RUBBER (US) 1995-05-24 EP claimed
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US claimed
EP-0278890-A2 Non-staining and slightly-staining antiozonants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-08-17 EP claimed
EP-0278890-B1 Non-staining and slightly-staining antiozonants GOODYEAR TIRE & RUBBER (US) 1995-05-24 EP disclosed
US-5019611-A Tetrahydrotriazinethiones THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-05-28 US disclosed