SCHEMBL29607291

SCHEMBL29607291

NC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
KIF11 P52732 3/20 0.48
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
DHODH Q02127 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL29438177 0.91 KIF11 (0.51) HSD17B10ALDH1A1KIF11MEN1KMT2A
SCHEMBL74362 0.80 KMT2A (0.69) HSD17B10ALDH1A1TSHRRECQLMEN1
SCHEMBL29399269 0.80 KMT2A (0.69) HSD17B10ALDH1A1TSHRRECQLMEN1
SCHEMBL10592143 0.80 TDP1 (0.58) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL9714358 0.77 ALDH1A1 (0.56) ALDH1A1RECQLSMN1; SMN2NPC1RAB9A
SCHEMBL9488794 0.74 ALDH1A1 (0.47) HSD17B10ALDH1A1TSHRRECQLMEN1
SCHEMBL10591070 0.70 TDP1 (0.58) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL350841 0.70 KMT2A (0.58) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL519537 0.70 DHODH (0.52) ALDH1A1KMT2ADHODHGAAPOLB
SCHEMBL9643765 0.69 TRPV1 (0.58) HSD17B10ALDH1A1TSHRKIF11KMT2A

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-2022113972-A1 COORDINATION POLYMER AND COMPOSITION CONTAINING SAME FOR PEST CONTROL 日本曹達株式会社 2022-06-02 WO disclosed