SCHEMBL9560101

SCHEMBL9560101

C=CCOCC=C.CC(=NO)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
GFER P55789 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALPG P10696 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2 P00734 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
SCHEMBL9156002 0.83 MEN1 (0.57) MEN1RAB9AKMT2AGAAMAPT
SCHEMBL9155999 0.83 MEN1 (0.57) MEN1RAB9AKMT2AGAAMAPT
SCHEMBL9560099 0.81 MEN1 (0.48) MEN1RAB9AKMT2AGAAMAPT
SCHEMBL27867542 0.70 ALDH1A1 (0.69) MEN1RAB9AKMT2AGAAMAPT
SCHEMBL877126 0.70 ALDH1A1 (0.54) MEN1RAB9AKMT2AMAPTALDH1A1
SCHEMBL4157209 0.69 MEN1 (0.57) MEN1RAB9AKMT2AGAAMAPT
Hydrochloric Acid SCHEMBL7617858 0.69 ALDH1A1 (0.53) MEN1RAB9AKMT2AMAPTALDH1A1
Aniline SCHEMBL27494360 0.69 TSHR (0.50) MEN1RAB9AKMT2AGAAMAPT
SCHEMBL823910 0.67 MAOB (0.44) MAPTALDH1A1CYP3A4
SCHEMBL28336630 0.66 NPC1 (0.37) MEN1RAB9AKMT2AALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194554-B1 PROCESS FOR PRODUCTION OF OXIME DERIVATIVES NIPPON ZEON CO., LTD. (JP) 1993-09-01 EP disclosed
US-4906768-A Process for production of oxime derivatives NIPPON ZEON CO., LTD. (JP) 1990-03-06 US disclosed
EP-0194554-A2 Process for production of oxime derivatives NIPPON ZEON CO., LTD. (JP) 1986-09-17 EP disclosed