SCHEMBL6474746

SCHEMBL6474746

O=C(O)c1cc([N+](=O)[O-])ccc1OCNc1ccc(CCCCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
BLM P54132 2/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
THPO P40225 2/20 0.45
PMP22 Q01453 2/20 0.45
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CDK2 P24941 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL6474797 0.83 KMT2A (0.59) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6482234 0.82 KMT2A (0.60) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6475459 0.80 KMT2A (0.60) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6474969 0.78 KMT2A (0.66) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6484266 0.77 MEN1 (0.46) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6474565 0.75 MEN1 (0.50) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6474556 0.74 CTSV (0.51) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6486672 0.74 MEN1 (0.66) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL4206812 0.73 MAPT (0.72) SERPINE1MEN1KMT2AMAPTLMNA
SCHEMBL6474815 0.71 MEN1 (0.54) SERPINE1MEN1KMT2AMAPTLMNA

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
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US claimed
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US disclosed