SCHEMBL12436948

SCHEMBL12436948

C/N=C(/N)Nc1cccc2cccc(C)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.50
GRIN2D O15399 11/20 0.50
GRIN3B O60391 11/20 0.50
GRIN1 Q05586 11/20 0.50
GRIN2A Q12879 11/20 0.50
GRIN2B Q13224 11/20 0.50
GRIN2C Q14957 11/20 0.50
GRIN3A Q8TCU5 11/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
EBP Q15125 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTR3E A5X5Y0 1/20 0.42

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
SCHEMBL9059539 0.82 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22989550 0.75 ALDH1A1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16194338 0.71 ALDH1A1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL26885007 0.71 TP53 (0.53) CYP1A2CYP2D6CYP2C19
SCHEMBL13588236 0.71 NPC1 (0.50) SIGMAR1MEN1KMT2A
SCHEMBL23735897 0.67 HDAC1 (0.50) PKMMEN1KMT2ACYP1A2CYP2C19
SCHEMBL29353343 0.67 ALDH1A1 (0.53) MEN1TSHRKMT2ACYP1A2
SCHEMBL588459 0.67 ALDH1A1 (0.53) MEN1TSHRKMT2ACYP1A2
SCHEMBL22251520 0.66 ALDH1A1 (0.55) MEN1ALOX15TSHRKMT2ACYP1A2
SCHEMBL11881598 0.66 SIGMAR1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925658-B1 Modified copolymer containing lubricating oil additive composition and method of making the same CHEVRON ORONITE CO (US) 2011-08-03 EP disclosed