SCHEMBL9800185

SCHEMBL9800185

CCOC(=O)NCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CNC(=O)OCC)c2F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
TSHR P16473 1/20 0.34
P2RX7 Q99572 10/20 0.34
KDM4E B2RXH2 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2839182 0.85 P2RX7 (0.34) P2RX7
SCHEMBL9800135 0.83 RIPK1 (0.38) P2RX7
SCHEMBL483275 0.82 CYP1A2 (0.42) SMN1; SMN2KDM4ECYP1A2CYP2C19CYP3A4
SCHEMBL9800172 0.82 P2RX7 (0.33) TSHRP2RX7
SCHEMBL15283391 0.80 RIPK1 (0.40) P2RX7
SCHEMBL9800082 0.79 RAB9A (0.44) SMN1; SMN2P2RX7NPC1RAB9AALDH1A1
SCHEMBL9800168 0.79 LMNA (0.37) TSHRLMNAALDH1A1
SCHEMBL9800245 0.77 ACHE (0.32)
SCHEMBL2834282 0.77 MTNR1A (0.35)
SCHEMBL9800043 0.76 MC4R (0.31) LMNA

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed