SCHEMBL8918638

SCHEMBL8918638

CC=CC=CCc1nc2ccccc2c(CC)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 8/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.35
TACR3 P29371 2/20 0.35
TACR2 P21452 1/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8919038 0.71 POLB (0.38) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL8920240 0.71
SCHEMBL19051658 0.69 KDM4E (0.40) SMN1; SMN2POLBKDM4EL3MBTL1ALDH1A1
SCHEMBL6108478 0.69 SMN1; SMN2 (0.54) SMN1; SMN2POLBRAD52KDM4EL3MBTL1
SCHEMBL8922863 0.68 GABRP (0.31)
SCHEMBL8918193 0.67
SCHEMBL8918128 0.67 USP7 (0.32)
SCHEMBL28915374 0.67 POLB (0.57) SMN1; SMN2POLBRAD52KDM4EL3MBTL1
SCHEMBL2534987 0.67 PDE10A (0.49) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL8918233 0.66 JAK3 (0.31) POLB

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
US-5691366-A UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed