SCHEMBL9563373

SCHEMBL9563373

COC(=N)NCc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.45
DGAT1 O75907 1/20 0.44
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL763479 0.83 KDM4E (0.51) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL27467998 0.81 GAA (0.49) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL27690792 0.79 KDM4E (0.47) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL23135844 0.77 FAAH (0.54) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL29811285 0.77 ALDH1A1 (0.57) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL2632301 0.77 ALDH1A1 (0.57) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL7665723 0.76 KDM4E (0.47) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL23135448 0.75 FAAH (0.58) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL2973540 0.75 FAAH (0.42) KDM4EGAAL3MBTL1MAPTALDH1A1
SCHEMBL3704245 0.75 L3MBTL1 (0.56) KDM4EGAAL3MBTL1MAPTALDH1A1

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
EP-0383091-B1 Insecticidally active nitro compounds BAYER AGROCHEM KK (JP) 1993-11-10 EP disclosed
US-5204359-A Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5084467-A INSECTICIDALLY ACTIVE NITRO GUANIDINE COMPOUNDS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1992-01-28 US disclosed
EP-0383091-A1 Insecticidally active nitro compounds NIHON BAYER AGROCHEM K.K. (JP) 1990-08-22 EP disclosed