SCHEMBL10379809

SCHEMBL10379809

Cn1cc(-c2ccccc2)nc1-c1nc([N+](=O)[O-])cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.43
▸ MBD2 Q9UBB5 1/20 0.42
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 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
SCHEMBL724249 0.77 PDE3B (0.55) PKMPDE3BPDE3AKMT2ATHRB
Nitric Acid SCHEMBL16699970 0.76 KDM4E (0.45) PKMMBD2KMT2AMEN1THRB
SCHEMBL10460856 0.74 CYP1A2 (0.38) PKMKMT2AMEN1THRBALDH1A1
SCHEMBL17279787 0.73 PDE3B (0.48) PKMPDE3BPDE3AKMT2AMEN1
SCHEMBL8818820 0.71 PDE10A (0.41) PDE3A
SCHEMBL1303977 0.71 PTGS2 (0.63) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL63286 0.70 ALDH1A1 (0.59) PKMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8830111 0.70 KDM4E (0.49) PKMKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2834854 0.70 PDE3B (0.49) PKMPDE3BPDE3AKMT2AMEN1
SCHEMBL8818815 0.69 CYP2C9 (0.53) PKMALDH1A1NPC1RAB9ASMN1; SMN2

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-1990008168-A1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1990-07-26 — — WO disclosed
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