SCHEMBL14384397

SCHEMBL14384397

CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.58
IDO1 P14902 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TRPV1 Q8NER1 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CDK8 P49336 1/20 0.53
ALDH1A1 P00352 2/20 0.53
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
TNNI3K Q59H18 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL669442 0.89 EPHX2 (0.70) SMN1; SMN2EPHX2IDO1MEN1KMT2A
SCHEMBL14384837 0.89 TLR8 (0.62) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL23894756 0.87 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
Nitrogen SCHEMBL28799837 0.86 SMN1; SMN2 (0.66) SMN1; SMN2EPHX2IDO1MEN1KMT2A
SCHEMBL6516221 0.86 KMT2A (0.73) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL14384680 0.85 MTNR1A (0.66) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL24168621 0.85 MTNR1A (0.58) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL23894755 0.85 KMT2A (0.58) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL29817773 0.85 MEN1 (0.67) SMN1; SMN2EPHX2MEN1KMT2ATRPV1
SCHEMBL11582431 0.84 TP53 (0.57) EPHX2TRPV1BRAFKDRMAPK14

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
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed