SCHEMBL7711524

SCHEMBL7711524

CC1(c2ccc(N)cc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.39
MAPT P10636 1/20 0.34
HTR6 P50406 1/20 0.32
CYP3A4 P08684 2/20 0.32
PGR P06401 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11A1 P05108 1/20 0.32
TBXAS1 P24557 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
NFKB1 P19838 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 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
SCHEMBL7708734 0.85 MGAT2 (0.38) MAPTDDB1CRBN
SCHEMBL7712056 0.83 MMP2 (0.42) HTR6PGR
SCHEMBL7711634 0.83 KMT2A (0.37) HTR6
SCHEMBL7711508 0.83 MGAT2 (0.36) HTR6
SCHEMBL7711516 0.83 MMP2 (0.39) MAPTPMP22
SCHEMBL7711504 0.81 MMP2 (0.39) MAPT
SCHEMBL7713921 0.81 ALDH1A1 (0.38) MAPTHTR6DDB1CRBN
SCHEMBL7711693 0.81 DDB1 (0.35) MAPTHTR6CYP3A4PMP22DDB1
SCHEMBL23727765 0.80 PGR (0.40) MAPTCYP3A4PGRCRBN
SCHEMBL7708718 0.75 OPRM1 (0.39) DDB1CRBN

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