SCHEMBL27558774

SCHEMBL27558774

C=CN=Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NOX1 Q9Y5S8 1/20 0.43
▸ GRIN2D O15399 2/20 0.41
▸ GRIN3B O60391 2/20 0.41
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2A Q12879 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ GRIN2C Q14957 2/20 0.41
▸ GRIN3A Q8TCU5 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ G6PC1 P35575 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38

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
SCHEMBL10239570 1.00 LMNA (0.55) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL19413650 0.81 L3MBTL1 (0.41) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL21765383 0.78 GRIN1 (0.43) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL11980107 0.78 HTR6 (0.50) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL7200967 0.76 LMNA (0.57) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL24622636 0.74 LMNA (0.55) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL7075969 0.74 LMNA (0.55) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL2751035 0.74 LMNA (0.55) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL8597431 0.74 LMNA (0.55) LMNAL3MBTL1ALDH1A1TSHRNOX1
SCHEMBL11709981 0.72 — —

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
CN-1348374-A Combination preparation of anti-infective active compounds inhibiting the 2-C-methylerythrose-4 metabolic pathway and lipid metabolism inhibitors JOMAA HASSAN (DE) 2002-05-08 — — CN disclosed
Send feedback