SCHEMBL28047548

SCHEMBL28047548

CCCCCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 2/20 0.38
KCNH2 Q12809 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM8 O00222 2/20 0.36
GRM4 Q14833 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ASAH2 Q9NR71 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KDR P35968 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL27887818 0.86 CYP19A1 (0.43) POLBHTTCYP19A1LMNACYP3A4
Crotonic Acid SCHEMBL28051478 0.86 GRM8 (0.39) POLBLMNACYP3A4CYP2D6CYP2C9
SCHEMBL6683050 0.84 ASAH2 (0.47) KCNH2CYP3A4GAAMAPTASAH2
SCHEMBL6691280 0.84 CA2 (0.43) POLBHTTCYP19A1LMNACYP3A4
SCHEMBL6683966 0.82 MAPT (0.47) HTTKCNH2LMNACYP3A4MAPT
SCHEMBL27692983 0.79 CYP19A1 (0.46) POLBHTTCYP19A1LMNACYP3A4
SCHEMBL10748170 0.78 POLB (0.34) POLBHTTCYP19A1KCNH2GPR84
SCHEMBL6680576 0.77 MAPT (0.49) HTTKCNH2LMNACYP3A4NPSR1
Pentane SCHEMBL21693644 0.76 CYP19A1 (0.56) POLBHTTCYP19A1LMNACYP3A4
SCHEMBL1854850 0.76 GPR35 (0.47) HTTGPR84LMNACYP2C9GRM8

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
CN-105409959-A Sterilization composition containing fluopyram and meptyldinocap SHAANXI SUNGER ROAD BIO-SCIENCE CO LTD 2016-03-23 CN disclosed
CN-105340888-A Sterilization composition containing meptyldinocap and cyflufenamid SHAANXI SUNGER ROAD BIO SCI CO 2016-02-24 CN disclosed