SCHEMBL6226629

SCHEMBL6226629

O=C(O)Oc1ccc(-c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ VCAM1 P19320 2/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL6224259 0.87 SMN1; SMN2 (0.47) MAPTLMNAMEN1KMT2AABCB1
SCHEMBL6225496 0.84 CRHBP (0.54) ABCB1POLBSMN1; SMN2
SCHEMBL6225781 0.81 ABCB1 (0.46) MAPTLMNAKMT2AABCB1POLB
SCHEMBL6224090 0.81 HSPB1 (0.47) MAPTLMNAMEN1KMT2AABCB1
SCHEMBL6225897 0.79 ABCB1 (0.50) MAPTLMNAMEN1KMT2AABCB1
SCHEMBL6224988 0.78 MAPT (0.46) MAPTLMNAMEN1KMT2AABCB1
SCHEMBL6226144 0.78 GRIN2D (0.41) MAPTMEN1KMT2AABCB1POLB
SCHEMBL6226628 0.78 EIF4E (0.48) MAPTVCAM1MEN1KMT2AHSD17B10
SCHEMBL6225602 0.76 ABCB1 (0.50) MAPTABCB1TDP1SMN1; SMN2
Nornitrogen Mustard SCHEMBL4942596 0.76 ABCB1 (0.50) MAPTABCB1

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
EP-1534689-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-06-01 — — EP disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 — — WO disclosed
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