SCHEMBL4539731

SCHEMBL4539731

COc1c(C(F)(F)F)n(C)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6A O15550 1/20 0.35
KDM4A O75164 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13759884 0.76 CYP2C9 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4542085 0.74 KDM4E (0.55) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL15790433 0.73 CYP2C9 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13760005 0.64 SMN1; SMN2 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26738542 0.63 CA2 (0.31)
SCHEMBL23635681 0.63 AOC3 (0.34) CYP2C9KDM4E
SCHEMBL3291588 0.63 POLB (0.42) KDM4ECYP2C19MAPT
SCHEMBL16744334 0.63 CYP2C9 (0.50) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL13386378 0.62 KDM4E (0.49) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL17228664 0.62 CYP2C9 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed