SCHEMBL9775595

SCHEMBL9775595

CCCCCCN(C)C(=O)C(Br)=Cc1cc(N)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.36
THRA P10827 3/20 0.35
VCAM1 P19320 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL9775593 1.00 THRB (0.36) THRBTHRAVCAM1BCHEACHE
SCHEMBL9775560 0.84 MAPT (0.42) VCAM1
SCHEMBL9775556 0.84 MAPT (0.42) VCAM1
SCHEMBL15055901 0.65 TSHR (0.47) ACHE
SCHEMBL24505748 0.65 ALDH1A1 (0.53)
SCHEMBL6819283 0.64 CYP3A4 (0.38) THRB
SCHEMBL9305897 0.63 GAA (0.41)
SCHEMBL9305893 0.63 GAA (0.41)
SCHEMBL7018839 0.63 LMNA (0.40)
SCHEMBL7089765 0.63 LMNA (0.40)

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