SCHEMBL3791900

SCHEMBL3791900

NCCOCCOCCNC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.44
FOLH1 Q04609 4/20 0.40
KAT2B Q92831 2/20 0.40
HCAR3 P49019 1/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL23786184 0.99 MAPT (0.47) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL3791891 0.89 MAPT (0.45) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL28845231 0.86 KMT2A (0.55) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL23705193 0.86 KMT2A (0.55) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL21113593 0.86 KMT2A (0.55) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL23786318 0.85 MAPT (0.47) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL23786301 0.81 ALDH1A1 (0.48) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL20402644 0.81 MAPT (0.57) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL23705089 0.81 MAPT (0.57) MAPTKDM4EALDH1A1KMT2APOLB
SCHEMBL21531212 0.80 MAPT (0.52) MAPTKDM4EALDH1A1KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741014-B2 Patterning and alteration of molecules PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-06-22 US disclosed
US-20070000866-A1 Patterning and alteration of molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-04 US disclosed
US-20060138083-A1 Patterning and alteration of molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-29 US disclosed