SCHEMBL5514243

SCHEMBL5514243

Oc1cc(F)cc2c(NC(F)(F)F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TRPV1 Q8NER1 2/20 0.34
NR3C1 P04150 2/20 0.33
TRPM4 Q8TD43 1/20 0.32
HSD17B2 P37059 1/20 0.32
CDC25B P30305 2/20 0.31
MYC P01106 1/20 0.31
MAX P61244 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PTPN1 P18031 1/20 0.30
NQO2 P16083 1/20 0.30
PTGS1 P23219 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
SCHEMBL5510298 0.79 IDO1 (0.52) IDO1TRPV1TRPM4CDC25BLMNA
SCHEMBL5515643 0.75 CA3 (0.37) IDO1HTTCA3CA6CA5A
SCHEMBL5516167 0.75 KDM4E (0.32) IDO1KDM4E
SCHEMBL5507591 0.74 KDM4E (0.33) TRPV1KDM4ECA9
SCHEMBL5514304 0.74 IDO1 (0.46) IDO1TRPM4HSD17B2LMNAHTT
SCHEMBL5514072 0.71 IDO1 (0.35) IDO1TRPV1NR3C1KDM4E
SCHEMBL5514103 0.71 ADRB1 (0.36) TRPV1LMNAHTTKDM4ECA3
SCHEMBL5507012 0.70 MAPT (0.42) IDO1TRPV1HSD17B2LMNAHTT
SCHEMBL5513272 0.69 IDO1 (0.47) IDO1TRPM4LMNAHTTKDM4E
SCHEMBL5511502 0.69 MEN1 (0.30) HSD17B2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed