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SCHEMBL1845528

SCHEMBL1845528

COC(=O)c1ccccc1-c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1.Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ HTT P42858 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PPARG P37231 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL1840343 0.85 MAPT (0.69) MAPTHTTNPC1JAK2RAB9A
SCHEMBL2548788 0.85 ALDH1A1 (0.51) MAPTHTTNPC1RAB9ANPSR1
SCHEMBL1839643 0.81 TAAR1 (0.48) —
SCHEMBL1844573 0.72 SOS1 (0.59) PPARGPOLB
SCHEMBL11957625 0.69 MAPT (0.67) MAPTHTTNPC1JAK2RAB9A
SCHEMBL1840030 0.69 MAPT (0.67) MAPTHTTNPC1JAK2RAB9A
SCHEMBL1839656 0.66 ALDH1A1 (0.47) MAPTHTTNPC1RAB9ANPSR1
SCHEMBL2979131 0.66 TAAR1 (0.59) MAPTHTTNPC1RAB9ANPSR1
SCHEMBL8858826 0.66 AGTR1 (0.47) —
SCHEMBL1839909 0.65 BRS3 (0.48) —

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-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 — — EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 — — WO claimed