SCHEMBL10842673

SCHEMBL10842673

Cc1c(-c2cccc([N+](=O)[O-])c2)c2nncn2c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.45
▸ POLB P06746 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ F2RL3 Q96RI0 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ F2R P25116 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ KEAP1 Q14145 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
SCHEMBL10841460 0.93 L3MBTL1 (0.48) MAPTHRH4HRH3L3MBTL1F2RL3
SCHEMBL19036232 0.73 HRH4 (0.54) MAPTHRH4HRH3LMNAALDH1A1
SCHEMBL11706515 0.71 L3MBTL1 (0.57) MAPTPOLBL3MBTL1F2RL3NPSR1
SCHEMBL11200693 0.68 ALDH1A1 (0.52) MAPTL3MBTL1THRBTDP1SMN1; SMN2
SCHEMBL10841737 0.68 THRB (0.61) MAPTPOLBL3MBTL1NPSR1THRB
SCHEMBL16435341 0.67 TSHR (0.58) MAPTTHRBTDP1SMN1; SMN2KMT2A
SCHEMBL9038869 0.66 POLB (0.58) POLBHRH4HRH3KMT2AMEN1
SCHEMBL18394407 0.66 CASP3 (0.47) MAPTPOLBNPSR1SMN1; SMN2LMNA
SCHEMBL11202002 0.65 TSHR (0.51) MAPTTHRBTDP1SMN1; SMN2KMT2A
SCHEMBL23576822 0.65 ABCG2 (0.47) MAPTHRH4HRH3L3MBTL1F2RL3

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
EP-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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