SCHEMBL27360366

SCHEMBL27360366

O=C(ONc1ccccc1)ONc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.48
EPHX1 P07099 2/20 0.48
TP53 P04637 1/20 0.48
EPHX2 P34913 1/20 0.48
CDK9 P50750 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
KMT2A Q03164 2/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL27659679 0.87 NAPRT (0.43) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL8863134 0.85 TSHR (0.48) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL27558551 0.85 TSHR (0.48) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL11326476 0.85 ALDH1A1 (0.47) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL10766707 0.82 KMT2A (0.42) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL24654534 0.82 SMN1; SMN2 (0.51) NAPRTHSD17B10TSHREPHX2SMN1; SMN2
SCHEMBL28463083 0.82 GAA (0.54) NAPRTHSD17B10TSHRSMN1; SMN2KMT2A
SCHEMBL11685657 0.81 KMT2A (0.44) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL3271953 0.81 TSHR (0.44) NAPRTHSD17B10TSHREPHX1TP53
SCHEMBL1491665 0.81 MAPT (0.45) NAPRTHSD17B10TSHREPHX1TP53

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
CN-1068123-A The growth hormone-releasing factor analogs of superactivity LILLY CO ELI (US) 1993-01-20 CN disclosed