SCHEMBL7899403

SCHEMBL7899403

O=C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.53
IDO1 P14902 1/20 0.53
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7899407 0.80 SMN1; SMN2 (0.61) CCR3MEN1KMT2AMAPT
SCHEMBL8014171 0.76 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL7608481 0.76 CCR3 (0.66) CCR3MEN1KMT2A
SCHEMBL7898022 0.76 SMN1; SMN2 (0.60) MEN1KMT2AMAPTNPSR1
SCHEMBL5580149 0.75 CCR3 (0.49) CCR3NR1H4MEN1KMT2AGAA
SCHEMBL5580151 0.75 CCR3 (0.49) CCR3NR1H4MEN1KMT2AGAA
SCHEMBL5580412 0.75 CCR3 (0.48) CCR3MEN1KMT2AGAAMAPT
SCHEMBL5580414 0.75 CCR3 (0.48) CCR3MEN1KMT2AGAAMAPT
SCHEMBL27689914 0.74 SCN5A (0.54) NR1H4MEN1KMT2A
SCHEMBL29447178 0.74 CCR3 (0.62) CCR3

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-6313247-B1 Cinchonan based chiral selectors for separation of stereoisomers LINDNER WOLFGANG (AT) 2001-11-06 US disclosed