SCHEMBL12644388

SCHEMBL12644388

Cc1cc(-c2cnc(C(O)Oc3ccc([N+](=O)[O-])cc3)nc2)cc(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ LMNA P02545 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL12644453 0.86 BRD4 (0.41) MAPTLMNAALDH1A1GAAHTT
SCHEMBL19387713 0.86 MAPT (0.37) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL19387677 0.85 HTR2A (0.37) MAPTLMNAALDH1A1GAAHTT
SCHEMBL13551997 0.78 MAPT (0.46) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL12644392 0.76 BRD4 (0.41) MAPTLMNAALDH1A1GAAHTT
SCHEMBL19387723 0.76 MAOB (0.35) MAPTLMNAALDH1A1GAAHTT
SCHEMBL13551974 0.74 ALDH1A1 (0.47) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL9807385 0.73 ALDH1A1 (0.53) MAPTLMNAALDH1A1HTTMEN1
SCHEMBL12644242 0.73 MEN1 (0.42) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL12644251 0.71 MAOB (0.59) MAPTLMNAALDH1A1MEN1KMT2A

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
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — WO disclosed
Send feedback