SCHEMBL29664191

SCHEMBL29664191

CC1(C)c2cc(O)c3cc(C(F)(F)F)ccc3c2-c2cc(Br)cc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
OPRK1 P41145 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PARK7 Q99497 1/20 0.30
SLC6A2 P23975 1/20 0.30
P2RY14 Q15391 1/20 0.30

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
SCHEMBL1960670 1.00 MEN1 (0.32) MEN1OPRK1HTTKMT2APARK7
SCHEMBL6113940 0.86 PTGS2 (0.31)
SCHEMBL1962777 0.83 MAPT (0.42) MEN1HTTKMT2A
SCHEMBL1962107 0.82 CYP2C19 (0.42) MEN1OPRK1HTTKMT2A
SCHEMBL2014165 0.82 AKR1C3 (0.33) PARK7
SCHEMBL29664145 0.82 CYP2C19 (0.42) MEN1OPRK1HTTKMT2A
SCHEMBL1958041 0.79 LMNA (0.33) HTTP2RY14
SCHEMBL17043258 0.78
SCHEMBL1963833 0.77 ALDH1A1 (0.34) KMT2ASLC6A2P2RY14
SCHEMBL30104207 0.77 ALDH1A1 (0.34) KMT2ASLC6A2P2RY14

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
CN-107253943-B Photochromic compounds and compositions 光学转变公司 2022-05-17 CN disclosed