SCHEMBL9775556

SCHEMBL9775556

CCCCCCN(C)C(=O)/C(Br)=C/c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
VCAM1 P19320 2/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 2/20 0.37
KMT2A Q03164 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
SCHEMBL9775560 1.00 MAPT (0.42) MAPTVCAM1HTTLMNAKCNH2
SCHEMBL9775593 0.84 THRB (0.36) VCAM1
SCHEMBL9775595 0.84 THRB (0.36) VCAM1
SCHEMBL9775574 0.81 ALDH1A1 (0.48) MAPTVCAM1HTTLMNAKCNH2
SCHEMBL9775572 0.81 ALDH1A1 (0.48) MAPTVCAM1HTTLMNAKCNH2
SCHEMBL9797265 0.75 KCNH2 (0.46) MAPTKCNH2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9797262 0.75 KCNH2 (0.46) MAPTKCNH2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9796843 0.73 KCNH2 (0.46) MAPTKCNH2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9796852 0.73 KCNH2 (0.46) MAPTKCNH2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL6819352 0.69 MAPT (0.54) MAPTVCAM1HTTLMNAKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5009701-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed