SCHEMBL4601122

SCHEMBL4601122

C=CC(=O)OSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 7/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL4600809 0.78 SLC6A2 (0.45) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10968950 0.76 SLC6A2 (0.46) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL18928136 0.75 PDE7A (0.51) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9321346 0.75 PDE7A (0.55) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL226893 0.73 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL28760921 0.72 THRB (0.43) MEN1KMT2AGAALMNAPOLB
Hydrochloric Acid SCHEMBL27772559 0.72 ALDH1A1 (0.50) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL11308852 0.72 PDE7A (0.45) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24063592 0.72 ALDH1A1 (0.53) PDE7ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11499701 0.72 PDE7A (0.56) PDE7ASMN1; SMN2MAPTMEN1KMT2A

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
US-7462653-B2 Photocurable and thermosetting composition for ink jet system and printed circuit boards made by use thereof TAIYO INK MANUFACTURING CO., LTD. (JP) 2008-12-09 — — US disclosed
EP-1624001-B1 PHOTOCURING/THERMOSETTING INKJET COMPOSITION AND PRINTED WIRING BOARD USING SAME TAIYO INK MFG CO LTD (JP) 2008-04-16 — — EP disclosed
US-20060058412-A1 Monomer having a (meth)acryloyl group and thermosetting functional group; a photoreactive diluent having a weight-average molecular weight of not more than 700; photopolymerization initiator; viscosity of not more than 150 mPa*s at 25 degrees C.; solder resist pattern directly drawn on printed circuit TAIYO INK MFG. CO., LTD. (JP) 2006-03-16 — — US disclosed
EP-1624001-A1 PHOTOCURING/THERMOSETTING INKJET COMPOSITION AND PRINTED WIRING BOARD USING SAME Taiyo Ink Manufacturing Co. Ltd (JP) 2006-02-08 — — EP disclosed
Send feedback