SCHEMBL9196397

SCHEMBL9196397

O=[N+]([O-])c1ccc(CCO)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC6 Q9UBN7 1/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45

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
SCHEMBL250473 0.86 TSHR (1.00) TSHRMEN1KMT2AHDAC6CYP2C19
Methyl Alcohol SCHEMBL5318262 0.83 TSHR (0.92) TSHRHDAC6CYP2C19ALDH1A1KCNJ1
Benzoic Acid SCHEMBL8816046 0.83 TSHR (0.72) TSHRMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL3887887 0.81 TSHR (0.89) TSHRMEN1KMT2AHDAC6CYP2C19
SCHEMBL9854491 0.80 ALDH1A1 (0.65) MEN1KMT2ACYP2C19CYP1A2NPC1
SCHEMBL15660584 0.80 ALDH1A1 (0.65) MEN1KMT2ACYP2C19CYP1A2NPC1
SCHEMBL11805023 0.80 CYP1A2 (0.51) TSHRMEN1KMT2ACYP2C19CYP1A2
SCHEMBL5973940 0.80 CYP2C19 (0.51) TSHRMEN1KMT2ACYP2C19CYP1A2
SCHEMBL13946243 0.79 CYP1A2 (0.67) TSHRMEN1KMT2ACYP2C19CYP1A2
SCHEMBL11364453 0.77 TSHR (0.79) TSHRMEN1KMT2AHDAC6CYP2C19

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
EP-0640091-A4 SYNTHESIS OF NUCLEOTIDE MONOMERS. RIBOZYME PHARM INC (US) 1995-07-26 EP disclosed
EP-0640091-A1 SYNTHESIS OF NUCLEOTIDE MONOMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1995-03-01 EP disclosed
WO-1993023413-A1 SYNTHESIS OF NUCLEOTIDE MONOMERS RIBOZYME PHARMACEUTICALS, INC. (US) 1993-11-25 WO disclosed