SCHEMBL10842811

SCHEMBL10842811

Cc1cc2nnc(-c3ccc(C(C)(C)C)cc3)n2c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 7/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL10841715 0.89 THRB (0.45) NPBWR1TDP1NPSR1THRBRECQL
SCHEMBL10842650 0.86 NPSR1 (0.53) TDP1NPSR1THRBRECQLHTT
SCHEMBL10842466 0.84 MEN1 (0.47) NPBWR1TDP1NPSR1THRBRECQL
SCHEMBL10841737 0.83 THRB (0.61) TDP1NPSR1THRBRECQLHPGD
SCHEMBL10842636 0.80 POLB (0.51) TDP1NPSR1THRBRECQLHTT
SCHEMBL10842100 0.80 NPC1 (0.37) TDP1NPSR1RECQLHTTHPGD
SCHEMBL10842419 0.67 KDM4E (0.36) HTTHPGDMAPTALDH1A1LMNA
SCHEMBL2660487 0.67 NPBWR1 (0.54) NPBWR1TDP1NPSR1RECQLHTT
SCHEMBL11849955 0.67 L3MBTL1 (0.50) TDP1NPSR1THRBRECQLHPGD
SCHEMBL13347519 0.66 CASR (0.67) NPBWR1MEN1KMT2A

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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