SCHEMBL674743

SCHEMBL674743

Cc1cccc(C(N)=Nc2ccccc2N=C(N)c2cccc(C)c2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.41
▸ GRIN2D O15399 6/20 0.41
▸ GRIN3B O60391 6/20 0.41
▸ GRIN1 Q05586 6/20 0.41
▸ GRIN2A Q12879 6/20 0.41
▸ GRIN2B Q13224 6/20 0.41
▸ GRIN2C Q14957 6/20 0.41
▸ GRIN3A Q8TCU5 6/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EBP Q15125 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
Hydrochloric Acid SCHEMBL11774172 0.86 RAB9A (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11772996 0.81 SIGMAR1 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11773003 0.81 SIGMAR1 (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11775039 0.79 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11775044 0.79 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL102965 0.79 LMNA (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL102966 0.79 LMNA (0.43) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL11769933 0.75 MEN1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28216249 0.75 HTR3E (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21091028 0.73 ESR1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 — — US claimed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 — — US claimed
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