SCHEMBL5608147

SCHEMBL5608147

[c]1nc2c(N(C3CCCCC3)C3CCCCC3)cccc2s1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6083736 0.74 CYP11B2 (0.34)
SCHEMBL11665005 0.70 CYP1A2 (0.41) AOC3CYP1A2CYP2D6NPC1ALDH1A1
SCHEMBL6358992 0.67 CEL (0.31)
SCHEMBL1696135 0.67 PSMD14 (0.36)
SCHEMBL6098342 0.63 KDM4E (0.39) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL558291 0.63 SMN1; SMN2 (0.44) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL211528 0.63 ALDH1A1 (0.44) CYP1A2LMNAMEN1ALDH1A1KMT2A
SCHEMBL558555 0.63 PSMB8 (0.44) CYP1A2LMNAMEN1NPC1ALDH1A1
SCHEMBL124933 0.63 PDPK1 (0.44) CYP1A2LMNAKDM4EALDH1A1RAB9A
SCHEMBL27382904 0.63 ALDH1A1 (0.45) CYP1A2CYP2D6LMNAKDM4EMEN1

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
EP-1514900-B1 Farm tire with tread of rubber composition containing starch/plasticizer composite GOODYEAR TIRE & RUBBER (US) 2007-12-05 EP disclosed
US-20050056356-A1 Farm tractor drive tire with tread of rubber composition containing dispersion of in situ silane modified composite of plasticizer treated starch core LECHTENBOHMER ANNETTE (LU) 2005-03-17 US disclosed