SCHEMBL8440251

SCHEMBL8440251

O=C(NC1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)C1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSK P43235 2/20 0.45
KLK7 P49862 1/20 0.45
CTRB1 P17538 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
PREP P48147 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL7450687 0.92 KMT2A (0.43) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL7450693 0.92 KMT2A (0.43) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8574927 0.90 CTSK (0.46) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8110299 0.90 CTSK (0.44) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8102832 0.89 CTRB1 (0.42) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL7455094 0.89 CTRB1 (0.42) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL7455087 0.89 CTRB1 (0.42) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8102837 0.89 CTRB1 (0.42) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8438142 0.88 HSD11B1 (0.41) MAPTRAB9AKMT2ALMNAALDH1A1
SCHEMBL8438547 0.88 HSD11B1 (0.41) MAPTRAB9AKMT2ALMNAALDH1A1

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-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed