SCHEMBL17689681

SCHEMBL17689681

C/[N+](O)=C\c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ FBP1 P09467 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ G6PD P11413 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 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
SCHEMBL7197516 0.78 ALDH1A1 (0.41) TDP1FBP1ALDH1A1TSHRAKR1C3
Hydrochloric Acid SCHEMBL5256199 0.76 ALDH1A1 (0.39) TDP1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL13461939 0.75 HSD17B10 (0.42) FBP1ALDH1A1G6PDMAOBCYP2A6
SCHEMBL18040865 0.74 G6PD (0.47) TDP1FBP1ALDH1A1TSHRG6PD
SCHEMBL10448311 0.74 G6PD (0.47) TDP1FBP1ALDH1A1TSHRG6PD
SCHEMBL1404289 0.74 G6PD (0.47) TDP1FBP1ALDH1A1TSHRG6PD
SCHEMBL22575907 0.74 G6PD (0.47) TDP1FBP1ALDH1A1TSHRG6PD
SCHEMBL14304177 0.73 TDP1 (0.46) TDP1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL17086575 0.73 TDP1 (0.46) TDP1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL19217996 0.72 ALDH1A1 (0.41) TDP1ALDH1A1TSHRG6PDPOLB

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
EP-2621905-B1 METHODS INCLUDING LATENT 1,3-DIPOLE-FUNCTIONAL COMPOUNDS AND MATERIALS PREPARED THEREBY UNIV GEORGIA (US) 2017-04-12 — — EP disclosed
US-9315468-B2 Methods including latent 1,3-dipole-functional compounds and materials prepared thereby UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-04-19 — — US disclosed
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