SCHEMBL5067323

SCHEMBL5067323

CCc1cc2c([N+](=O)[O-])cccc2c(=O)o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ KLK3 P07288 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ C1R P00736 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL15775177 0.85 MAPT (0.56) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL7422036 0.78 HTR2B (0.44) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15775344 0.73 MAOA (0.57) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15775643 0.73 MAOB (0.46) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL26059158 0.71 TDP1 (0.69) TDP1ALDH1A1MAPTGAAGPR35
SCHEMBL15775299 0.71 PARP1 (0.60) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15775345 0.70 ALDH1A1 (0.59) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15775390 0.70 TNKS (0.46) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3364130 0.70 GPR35 (0.52) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL10725654 0.69 MAPT (0.67) TDP1ALDH1A1MAPTATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 — — WO disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 — — EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 — — WO disclosed
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