SCHEMBL2554466

SCHEMBL2554466

CC(O)C(NCc1ccc2c(c1)OCO2)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14740400 0.76 MAPT (0.56) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL1040562 0.75 MAPT (0.76) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL6378907 0.71 KMT2A (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL14750964 0.70 MAPT (0.51) ALDH1A1POLBMAPTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL27940296 0.70 MAPT (0.67) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL9941840 0.70 MAPT (0.67) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL2840091 0.70 HTR2A (0.58) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL15306501 0.70 KMT2A (1.00) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL11661115 0.69 KMT2A (0.48) ALDH1A1POLBMAPTSMN1; SMN2MEN1
SCHEMBL1099886 0.69 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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-2011127333-A2 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-10-13 WO disclosed