SCHEMBL19687739

SCHEMBL19687739

CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc4c(c3)cc(C#N)n4C(=O)OC(C)(C)C)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
CYP3A4 P08684 10/20 0.44
CYP2D6 P10635 8/20 0.44
USP2 O75604 5/20 0.44
TSHR P16473 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL19687703 0.95 CYP3A4 (0.43) RORCCYP3A4CYP2D6USP2TSHR
SCHEMBL19838241 0.81 CYP3A4 (0.66) CYP3A4CYP2D6USP2TSHRCYP1A2
SCHEMBL20556708 0.77 ERN1 (0.56) RORCCYP3A4CYP2D6TSHRCYP1A2
SCHEMBL982298 0.77 PDE4A (0.39) CYP3A4CYP2D6USP2TSHRCYP1A2
SCHEMBL19687609 0.77 RORC (0.51) RORCCYP3A4CYP2D6USP2TSHR
SCHEMBL21276348 0.77 MGLL (0.53) RORCCYP3A4CYP2D6USP2TSHR
SCHEMBL16090764 0.77 NR1H2 (0.48)
SCHEMBL30620506 0.76 GPR183 (0.52) RORCCYP3A4CYP2D6USP2TSHR
SCHEMBL19687697 0.76 RORC (0.52) RORCCYP3A4CYP2D6USP2TSHR
SCHEMBL1426231 0.76 CYP2D6 (0.64) CYP3A4CYP2D6USP2TSHRCYP1A2

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed