SCHEMBL19829355

SCHEMBL19829355

CCCCCCCCCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
GPR84 Q9NQS5 2/20 0.49
PTGS2 P35354 4/20 0.48
CYP3A4 P08684 1/20 0.46
FUT7 Q11130 1/20 0.45
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.41

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
SCHEMBL9886148 0.84 CYP19A1 (0.50) CYP3A4CYP19A1POLBHTT
SCHEMBL12062433 0.84 KCNH2 (0.45) KCNH2GPR84PTGS2CYP3A4FUT7
SCHEMBL24767335 0.83 TSHR (0.56) KCNH2HTT
SCHEMBL8733292 0.83 TSHR (0.56) KCNH2HTT
Pentane SCHEMBL21693644 0.82 CYP19A1 (0.56) CYP3A4CYP19A1POLBHTT
SCHEMBL4190401 0.81 KCNH2 (0.77) KCNH2PTGS2CYP3A4
SCHEMBL25171490 0.81 KCNH2 (0.77) KCNH2PTGS2CYP3A4
SCHEMBL4310058 0.81 KCNH2 (0.77) KCNH2PTGS2CYP3A4
SCHEMBL25174460 0.81 KCNH2 (0.77) KCNH2PTGS2CYP3A4
SCHEMBL8743949 0.81 KCNH2 (0.77) KCNH2PTGS2CYP3A4

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
US-20180205242-A1 CAPACITOR BASED POWER SYSTEM AND UNMANNED VEHICLE WITH THE CAPACITOR BASED POWER SYSTEM THEREOF CAPACITOR SCIENCES INCORPORATED 2018-07-19 US disclosed
US-20180137984-A1 SOLID STATE ENERGY STORAGE DEVICE CAPACITOR SCIENCES INCORPORATED 2018-05-17 US disclosed
US-20180033554-A1 YANLI DIELECTRIC MATERIALS AND CAPACITOR THEREOF CAPACITOR SCIENCES INCORPORATED 2018-02-01 US disclosed