SCHEMBL7711580

SCHEMBL7711580

CCOC(=O)C(C#N)C#N.[KH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11445122 0.98 ALDH1A1 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10325478 0.86 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11451905 0.79 HCAR2 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16178994 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9705616 0.78 MEN1 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10535054 0.78 SMN1; SMN2 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL3982038 0.77
SCHEMBL18982823 0.76
Ethane SCHEMBL20528153 0.76 MEN1 (0.44) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL163958 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
EP-0967206-A1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE LTD. (GB) 1999-12-29 EP disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
EP-0352944-B1 Derivatives of N-phenylpyrazoles RHONE POULENC AGRICULTURE (GB) 1995-03-01 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed
US-4963575-A INSECTICIDES, PESTICIDES, PARASITICIDES ANTIPROTOZOA AGENTS, NEMATOCIDES MAY & BAKER LTD. (GB) 1990-10-16 US disclosed
EP-0352944-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1990-01-31 EP disclosed
EP-0295118-A1 N-phenylpyrazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP disclosed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP disclosed