SCHEMBL19387723

SCHEMBL19387723

Cc1cc(CCc2ncc(C(O)Oc3ccc([N+](=O)[O-])cc3)o2)cc(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.35
▸ MAPT P10636 5/20 0.35
▸ POLB P06746 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GSTP1 P09211 1/20 0.33

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
SCHEMBL19387677 0.85 HTR2A (0.37) MAOBMAPTPOLBHTR2AMEN1
SCHEMBL12644466 0.81 MAPT (0.44) MAOBMAPTPOLBMEN1KMT2A
SCHEMBL12644388 0.76 MAPT (0.39) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12644453 0.74 BRD4 (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12644451 0.73 MAOB (0.45) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL12644402 0.72 LMNA (0.47) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL13551992 0.72 MAPT (0.44) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL19387713 0.72 MAPT (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12644392 0.71 BRD4 (0.41) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL12643999 0.71 MAPT (0.42) MAOBMAPTMEN1KMT2AALDH1A1

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
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 — — US disclosed
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