SCHEMBL4624012

SCHEMBL4624012

COC(=O)NCc1cc(C(C)=NO)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 5/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ GFER P55789 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL4624008 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRHPGDPKM
SCHEMBL3323523 0.86 TSHR (0.49) SMN1; SMN2ALDH1A1TSHRHPGDPPARG
SCHEMBL3323521 0.86 TSHR (0.49) SMN1; SMN2ALDH1A1TSHRHPGDPPARG
SCHEMBL15660187 0.85 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TSHRHPGDPKM
SCHEMBL15657583 0.81 SLC6A4 (0.45) SMN1; SMN2ALDH1A1TSHRHPGDNPC1
SCHEMBL30787471 0.77 NPC1 (0.57) SMN1; SMN2TSHRHPGDNPC1RAB9A
SCHEMBL4622925 0.75 MEN1 (0.36) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL15657220 0.75 SETDB1 (0.45) SMN1; SMN2ALDH1A1TSHRHPGDNPC1
SCHEMBL15659479 0.75 TSHR (0.44) SMN1; SMN2ALDH1A1TSHRHPGDNPC1
SCHEMBL15660601 0.74 MAPT (0.51) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A

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-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 — — EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 — — US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 — — EP disclosed
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