SCHEMBL16523977

SCHEMBL16523977

CBn1ncc([N+](=O)[O-])c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 3/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL6970538 0.76 MEN1 (0.49) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL6970534 0.74 POLB (0.43) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL21719655 0.72 LMNA (0.44) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL26120909 0.72 POLB (0.41) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL15567232 0.72 L3MBTL1 (0.51) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL20353782 0.70 POLB (0.40) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL26120935 0.70 POLB (0.40) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL16975468 0.70 SMN1; SMN2 (0.41) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL23275100 0.69 PKM (0.40) POLBL3MBTL1PKMMEN1KMT2A
SCHEMBL20555350 0.69 POLB (0.42) POLBL3MBTL1PKMMEN1KMT2A

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
WO-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 — — WO disclosed
Send feedback