SCHEMBL17804277

SCHEMBL17804277

Cc1cc(P)c(C)nc1OCc1c(C2CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
MAPK1 P28482 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TSHR P16473 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 4/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PIN1 Q13526 1/20 0.31
CACNA1C Q13936 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL17804276 0.85 NR1H4 (0.33) MAPTMAPK1TDP1SMN1; SMN2TSHR
SCHEMBL20195658 0.84 ALDH1A1 (0.40) MAPTMAPK1TDP1SMN1; SMN2TSHR
SCHEMBL20195438 0.81 ALDH1A1 (0.42) MAPTMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL17788182 0.78 MAPT (0.38) MAPTMAPK1TDP1SMN1; SMN2TSHR
SCHEMBL17788178 0.76 S1PR4 (0.42) MAPTMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL17804268 0.75 DRD1 (0.33)
SCHEMBL17788177 0.74 KMT2A (0.42) MAPTMAPK1TDP1LMNANR1H4
SCHEMBL17788170 0.74 HTR6 (0.37) MAPTMAPK1TDP1LMNASMN1; SMN2
SCHEMBL18185031 0.74 TDP1 (0.40) MAPTMAPK1TDP1LMNASMN1; SMN2
SCHEMBL18185060 0.72 CACNA1C (0.40) MAPTMAPK1TDP1LMNASMN1; SMN2

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
EP-3029035-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed