SCHEMBL4637768

SCHEMBL4637768

CC(C)(C#CC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cnccn1)O[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.37
CYP3A4 P08684 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 2/20 0.34
P2RX7 Q99572 1/20 0.34
AKR1C3 P42330 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MGLL Q99685 1/20 0.30
HIF1A Q16665 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL4639435 0.85 USP2 (0.37) USP2CYP3A4CYP2D6TSHRAKR1C3
SCHEMBL4637872 0.84 USP2 (0.36) USP2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4671709 0.82 AKR1C3 (0.38) USP2MEN1KMT2ACYP2D6TSHR
SCHEMBL4638494 0.81 USP2 (0.42) USP2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4637963 0.81 USP2 (0.45) USP2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4637887 0.78 USP2 (0.36) USP2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4637960 0.78 USP2 (0.41) USP2CYP3A4MEN1KMT2ACYP2D6
SCHEMBL4638486 0.73 GPBAR1 (0.34) P2RX7KDM4E
SCHEMBL4639407 0.73 EPAS1 (0.37) TSHRMAPTKDM4EALDH1A1
SCHEMBL5632871 0.70 USP2 (0.36) USP2CYP3A4MEN1KMT2ACYP2D6

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed