SCHEMBL15214237

SCHEMBL15214237

COc1c(C)c(O)c(F)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.41
IMPDH2 P12268 4/20 0.40
TPMT P51580 1/20 0.38
TDP1 Q9NUW8 4/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
GFER P55789 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15214004 0.88 SMN1; SMN2 (0.50) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL15214262 0.87 SMN1; SMN2 (0.60) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL27974983 0.81 SMN1; SMN2 (0.51) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL27640077 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL27565467 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL27287426 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL1202914 0.78 SMN1; SMN2 (0.47) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL15214235 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL5589481 0.77 IMPDH2 (0.48) SMN1; SMN2PKMIMPDH2TPMTTDP1
SCHEMBL7007613 0.75 SMN1; SMN2 (0.44) SMN1; SMN2PKMIMPDH2TPMTTDP1

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-8519176-B1 Process for preparation of substituted P-aminophenol BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-27 US disclosed