SCHEMBL8922867

SCHEMBL8922867

CC=C(C=CCc1ccnc(C(=O)O)c1C(N)=O)CC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
AGER Q15109 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8922857 1.00 KDM4E (0.34) KDM4EMAPTCYP1A2ASPHKDM8
SCHEMBL8918135 0.85 MAP3K7 (0.32)
SCHEMBL8918200 0.85 MKNK1 (0.33)
SCHEMBL8918240 0.84 HPGD (0.30)
SCHEMBL8920430 0.82 MAP3K7 (0.32)
SCHEMBL8920805 0.82 PLK4 (0.33) ALDH1A1TSHRL3MBTL1
SCHEMBL8922853 0.81 ASPH (0.35) KDM4EMAPTASPHKDM8ALDH1A1
SCHEMBL8918506 0.78 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL8919833 0.75
SCHEMBL28972407 0.71 BID (0.47) KDM4EMAPTALOX15

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 4 patents. 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
US-5495023-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0612315-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
WO-1993010097-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed