SCHEMBL5824307

SCHEMBL5824307

O=Cc1cc(F)ccc1CF

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ERN1 O75460 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
NFE2L2 Q16236 2/20 0.34
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34

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
SCHEMBL31021773 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EERN1LMNAHTT
SCHEMBL25538037 0.83 SRC (0.44) SRCALDH1A1KDM4EERN1LMNA
SCHEMBL4503640 0.82 SRC (0.40) SRCALDH1A1KDM4EERN1LMNA
SCHEMBL17428942 0.79 SRC (0.41) SRCALDH1A1KDM4EERN1LMNA
SCHEMBL18995144 0.79 SRC (0.41) SRCALDH1A1KDM4EERN1LMNA
SCHEMBL31574315 0.79 SRC (0.67) SRCERN1
SCHEMBL29952376 0.78 ERN1 (0.52) SRCALDH1A1KDM4EERN1LMNA
SCHEMBL6128189 0.77 SLC6A4 (0.41) SRCALDH1A1KDM4EMEN1KMT2A
SCHEMBL19859301 0.77 ALDH1A1 (0.41) SRCALDH1A1KDM4EERN1MEN1
SCHEMBL29957006 0.75 ERN1 (0.46) ALDH1A1KDM4EERN1LMNAPTPN1

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
JP-2006160635-A METHOD FOR PRODUCING 2-TRIFLUOROMETHYL-5-FLUOROBENZALDEHYDE AND ITS DERIVATIVE CENTRAL GLASS CO LTD 2006-06-22 JP disclosed