SCHEMBL17146181

SCHEMBL17146181

CCC(=O)NOCc1c(C(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.35
CTSD P07339 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL19229479 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL15761215 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL19229478 0.83 KMT2A (0.43) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL19229485 0.83 TDP1 (0.44) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL17146167 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL19229477 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL15761224 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL19229822 0.81 HDAC3 (0.36) ALDH1A1KDM4EMAPTKMT2ALMNA
SCHEMBL19229834 0.79 KDM4E (0.36) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL19229481 0.78 CACNA1C (0.40) ALDH1A1KDM4EMAPTTDP1KMT2A

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-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed