SCHEMBL7705311

SCHEMBL7705311

CC1(c2cccc(C(F)(F)F)c2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
KDM1A O60341 2/20 0.41
CCR2 P41597 2/20 0.39
AR P10275 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.36
HSD11B1 P28845 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SHMT1 P34896 2/20 0.36
SLC6A2 P23975 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
SCHEMBL7711516 0.78 MMP2 (0.39) HCAR3HCAR2CYP2C9
SCHEMBL7708684 0.77 HCAR2 (0.42) HCAR2KDM1ACES2SLC6A3SLC6A2
SCHEMBL5856716 0.70 HCAR2 (0.40) HCAR2ARHSD11B1SLC6A4SLC6A2
SCHEMBL7711504 0.70 MMP2 (0.39) SLC6A2
SCHEMBL7708687 0.69 HTR2C (0.46) KDM1AARCYP2C8CYP2C9CYP2C19
SCHEMBL7712056 0.69 MMP2 (0.42) AR
SCHEMBL7712066 0.68 CA1 (0.36) CYP2C9CYP2C19
SCHEMBL7713927 0.67 HCAR2 (0.38) HCAR2CYP2C9HSD11B1
SCHEMBL715748 0.66 LMNA (0.47) HCAR3HCAR2KDM1ACCR2AR
SCHEMBL14894499 0.66 KDM1A (0.45) HCAR3HCAR2KDM1ACCR2CES2

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed