SCHEMBL7990532

SCHEMBL7990532

CCn1nnc(-c2ccc(C[N+]3([O-])CCC(C(OS(=O)(=O)CC)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 5/20 0.36
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 2/20 0.32

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
SCHEMBL7990527 0.84 LMNA (0.41) LMNAALDH1A1HDAC6TP53MAPT
SCHEMBL7465767 0.83 LMNA (0.43) LMNAALDH1A1HDAC6TP53MAPT
SCHEMBL7472407 0.73 ALDH1A1 (0.39) LMNAALDH1A1HDAC6TP53MAPT
SCHEMBL12267532 0.71 LMNA (0.63) LMNAALDH1A1HDAC6TP53MAPT
SCHEMBL7976489 0.70 LMNA (0.33) LMNAALDH1A1HDAC6TP53MAPT
SCHEMBL7990538 0.70 LMNA (0.31) LMNAALDH1A1SMN1; SMN2
SCHEMBL7469010 0.66 DNMT1 (0.53) LMNAALDH1A1HDAC6SMN1; SMN2GAA
SCHEMBL7470569 0.62 HDAC6 (0.43) LMNAALDH1A1HDAC6SMN1; SMN2GAA
SCHEMBL7983659 0.60 CYP1A1 (0.40) LMNAALDH1A1MAPTGAAHTT
SCHEMBL18590264 0.60 SMN1; SMN2 (0.65) LMNAALDH1A1TP53SMN1; SMN2HTT

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
US-H1996-H1 AGRICULTURE FMC CORPORATION 2001-10-02 US disclosed
WO-2000031034-A1 INSECTICIDAL PHOTOSTABLE ACID SALT DERIVATIVES OF N-BENZYL-4-BENZHYDROLPIPERIDINES FMC CORPORATION (US) 2000-06-02 WO disclosed