SCHEMBL30516137

SCHEMBL30516137

O=C(Nc1ccc(Nc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 1.00
MAPT P10636 4/20 1.00
MAPK1 P28482 3/20 1.00
POLB P06746 3/20 1.00
ALDH1A1 P00352 3/20 1.00
USP2 O75604 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
KDM4E B2RXH2 1/20 1.00
THRB P10828 1/20 1.00
MCL1 Q07820 1/20 1.00
DNMT1 P26358 3/20 0.51
DNMT3A Q9Y6K1 3/20 0.51
MITF O75030 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MEN1 O00255 6/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL20211618 1.00 KMT2A (1.00) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL669669 0.89 MAPT (0.80) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL19124864 0.88 MAPT (1.00) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL30180507 0.85 KMT2A (0.80) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL19151510 0.85 KMT2A (0.80) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL26649077 0.82 KMT2A (0.70) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL30232549 0.81 KMT2A (0.78) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL19151496 0.81 KMT2A (0.78) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL19151335 0.81 MAPT (0.82) KMT2AMAPTMAPK1POLBALDH1A1
SCHEMBL30180657 0.81 MAPT (0.82) KMT2AMAPTMAPK1POLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 CN claimed
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 CN disclosed