SCHEMBL12087419

SCHEMBL12087419

C=C/C=C(\NN)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ KDM4E B2RXH2 4/20 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
SCHEMBL19450871 0.83 ALDH1A1 (0.43) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL20997882 0.80 CES2 (0.45) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL19154947 0.77 MAPK1 (0.50) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL20825179 0.77 MAPK1 (0.50) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9539538 0.76 RAB9A (0.53) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL27611283 0.73 CES2 (0.45) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL10465175 0.73 ALDH1A1 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL18410851 0.73 ALDH1A1 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL26343307 0.72 CES2 (0.48) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2788422 0.70 CES2 (0.50) CES2CES1LMNAL3MBTL1NAPRT

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-2217608-B1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO RAD LABORATORIES (US) 2012-09-05 — — EP disclosed
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