SCHEMBL7219540

SCHEMBL7219540

CCC(C#N)(NC(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MIF P14174 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 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
SCHEMBL7220861 0.84 ALDH1A1 (0.39) L3MBTL1MEN1KMT2AHTTCYP2C19
SCHEMBL7216025 0.82 ALDH1A1 (0.42) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL7219578 0.74 L3MBTL1 (0.44) L3MBTL1MEN1KMT2APOLBCYP1A2
SCHEMBL8390808 0.70 POLB (0.50) L3MBTL1MEN1KMT2APOLBNPSR1
SCHEMBL5513359 0.69 ESR1 (0.39) CYP1A2KDM4EALDH1A1SMN1; SMN2HDAC3
SCHEMBL8445728 0.68 CCR1 (0.43) L3MBTL1MEN1KMT2APOLBNPSR1
SCHEMBL1396355 0.67 TSHR (0.45) L3MBTL1MEN1KMT2APOLBMIF
SCHEMBL1626918 0.66 ESR1 (0.44) L3MBTL1MEN1KMT2APOLBNPSR1
SCHEMBL10539630 0.65 MIF (0.48) L3MBTL1MEN1KMT2APOLBNPSR1
SCHEMBL3622348 0.65 CYP19A1 (0.43) L3MBTL1MEN1KMT2APOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6504046-B1 Cyclization of nitriles using acids, to form oxazolinone chemical intermediates such as 2-phenyl-4-isopropyl-4-methyl-1,3-oxazol-5-one, used as fungicides IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-01-07 US disclosed
EP-1092705-A1 PROCESS FOR THE PREPARATION OF AMIDES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2001-04-18 EP disclosed