SCHEMBL997744

SCHEMBL997744

CCCOc1cc2c(cc1C(=O)/C=C/c1ccc(OC)c(O)c1)OC[S+]2[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
APP P05067 2/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43

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
SCHEMBL997749 1.00 TUBB1 (0.47) TUBB1MEN1LMNAHPGDKMT2A
SCHEMBL997037 0.91 TUBB1 (0.54) TUBB1MEN1LMNAHPGDKMT2A
SCHEMBL997041 0.91 TUBB1 (0.54) TUBB1MEN1LMNAHPGDKMT2A
SCHEMBL997556 0.90 TUBB1 (0.48) TUBB1MEN1LMNAHPGDKMT2A
SCHEMBL997553 0.90 TUBB1 (0.48) TUBB1MEN1LMNAHPGDKMT2A
SCHEMBL997801 0.88 KDM4E (0.44) TUBB1LMNAKDM4EAPPTUBB4A
SCHEMBL997616 0.88 KDM4E (0.44) TUBB1LMNAKDM4EAPPTUBB4A
SCHEMBL997614 0.88 KDM4E (0.44) TUBB1LMNAKDM4EAPPTUBB4A
SCHEMBL997802 0.87 KDM4E (0.43) TUBB1LMNAKDM4EAPPTUBB4A
Water SCHEMBL997172 0.87 KDM4E (0.43) TUBB1LMNAKDM4EAPPTUBB4A

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
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO claimed
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed