SCHEMBL8510873

SCHEMBL8510873

O=C(O)CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
CRHBP P24387 3/20 0.47
CRHR2 Q13324 3/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
KCNH2 Q12809 1/20 0.44
ATM Q13315 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR9 Q9NR96 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL8510870 0.95 ALDH1A1 (0.49) RAB9ACRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL11270421 0.90 RAB9A (0.48) RAB9ACRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL8435360 0.90 RAB9A (0.48) RAB9ACRHBPCRHR2ALDH1A1SMN1; SMN2
SCHEMBL9300433 0.86 ALDH1A1 (0.53) RAB9AALDH1A1SMN1; SMN2NPC1ATM
SCHEMBL84134 0.85 ALDH1A1 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL10596789 0.84 HTT (0.41) RAB9AALDH1A1SMN1; SMN2KCNH2IDO1
SCHEMBL9522656 0.84 ALDH1A1 (0.53) RAB9AALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL8432142 0.84 RAB9A (0.46) RAB9ACRHBPCRHR2ALDH1A1NPC1
SCHEMBL10915717 0.84 LMNA (0.47) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL11790891 0.83 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2NPC1KMT2A

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-5985281-A ANTIBODY DIRECTED ENZYME PRODRUG THERAPY (ADEPT) USING A NON-NATURALLY OCCURING MUTANT FORM OF A HOST ENZYME, ESPECIALLY A MUTANT FORM OF RIBONUCLEASE. ZENECA LIMITED (GB) 1999-11-16 US disclosed