SCHEMBL11615897

SCHEMBL11615897

O=C1Nc2c(cccc2[N+](=O)[O-])C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4A O75164 1/20 0.40
TDP2 O95551 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39

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
SCHEMBL11616273 0.78 GID4 (0.41) MAPTALDH1A1LMNACACNA1FTP53
SCHEMBL15715049 0.76 MAPT (0.39) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL9833159 0.70 ALDH1A1 (0.41) TDP1MAPTALDH1A1LMNAKMT2A
SCHEMBL2973373 0.69 SMN1; SMN2 (0.47) TDP1MAPTALDH1A1LMNAPOLB
SCHEMBL2346396 0.69 KMT2A (0.46) TDP1MAPTALDH1A1LMNAKMT2A
SCHEMBL31728057 0.69 IDO1 (0.51) TDP1MAPTALDH1A1LMNAPOLB
SCHEMBL11664605 0.69 HSD17B10 (0.35) MAPTALDH1A1GAACYP2C19HSD17B10
SCHEMBL10407685 0.69 KMT2A (0.39) TDP1MAPTALDH1A1LMNAKMT2A
SCHEMBL2828597 0.69 IDO1 (0.51) TDP1MAPTALDH1A1LMNAPOLB
SCHEMBL11616842 0.68 ALDH1A1 (0.43) MAPTALDH1A1POLBKMT2AMEN1

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-4110465-A ANTIINFLAMMATORY, ANTITHROMBOSIS ELI LILLY AND COMPANY (US) 1978-08-29 US disclosed