SCHEMBL8918200

SCHEMBL8918200

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
P2RX7 Q99572 1/20 0.32
NTRK1 P04629 4/20 0.31
PIM1 P11309 4/20 0.31
ACVR1 Q04771 2/20 0.30

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
SCHEMBL8918135 0.87 MAP3K7 (0.32)
SCHEMBL8918240 0.86 HPGD (0.30)
SCHEMBL8922867 0.85 KDM4E (0.34)
SCHEMBL8922857 0.85 KDM4E (0.34)
SCHEMBL8920430 0.84 MAP3K7 (0.32)
SCHEMBL8920805 0.84 PLK4 (0.33) MKNK2PIM1
SCHEMBL8918506 0.77 KDM4E (0.32)
SCHEMBL8919997 0.73 KDM5C (0.41) MKNK1MKNK2
SCHEMBL8919974 0.73 KDM5C (0.41) MKNK1MKNK2
SCHEMBL8918530 0.73

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