SCHEMBL8118510

SCHEMBL8118510

CSc1cccc(CO)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ ALDH1A1 P00352 7/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TSHR P16473 2/20 0.36
▸ S100A4 P26447 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3818387 0.82 ALDH1A1 (0.46) ALDH1A1TDP1TSHRS100A4GPR35
SCHEMBL8115993 0.79 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL3781650 0.79 TDP1 (0.45) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL67211 0.77 TDP1 (0.64) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL31729335 0.77 TDP1 (0.64) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL3025068 0.77 PDE7A (0.46) KMT2AMEN1ALDH1A1TDP1APOBEC3G
SCHEMBL8106323 0.76 KMT2A (0.37) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL31014199 0.75 GPR35 (0.58) ALDH1A1TDP1MAPTTSHRS100A4
SCHEMBL16952481 0.75 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL9491013 0.75 GPR35 (0.58) ALDH1A1TDP1MAPTTSHRS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 — — EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 — — US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 — — EP disclosed
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