SCHEMBL8669950

SCHEMBL8669950

[N-]=[N+]=CC(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CYP1A2 P05177 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HIF1A Q16665 2/20 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
SCHEMBL626446 0.72 ALDH1A1 (0.52) NPSR1CYP1A2ALDH1A1TSHRHDAC3
SCHEMBL8669957 0.71 CYP1A2 (0.37) NPSR1CYP1A2ALDH1A1TSHRHDAC3
SCHEMBL29460242 0.71 KMT2A (0.52) NPSR1CYP1A2ALDH1A1TSHRHDAC3
SCHEMBL9362214 0.69 PTPN1 (0.52) NPSR1PTPN1
SCHEMBL25271578 0.65 NPSR1 (0.73) NPSR1CYP1A2ALDH1A1TSHRHDAC3
Bicarbonate SCHEMBL27636738 0.65 CYP1A2 (0.52) NPSR1CYP1A2ALDH1A1TSHRHDAC3
SCHEMBL2208876 0.64 CYP1A2 (0.54) CYP1A2ALDH1A1TSHRHDAC3HDAC4
SCHEMBL23501859 0.64 NPSR1 (0.42) NPSR1ALDH1A1TSHRKCNN4
SCHEMBL27642 0.63 CYP1A2 (0.56) NPSR1CYP1A2ALDH1A1TSHRHDAC3
SCHEMBL45520 0.63 CYP1A2 (0.56) NPSR1CYP1A2ALDH1A1TSHRHDAC3

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-0886183-A1 Positive-working photoresist composition Fuji Photo Film Co., Ltd. (JP) 1998-12-23 — — EP disclosed
US-5609982-A Positive-working photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1997-03-11 — — US disclosed
EP-0658807-A1 Positive-working photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1995-06-21 — — EP disclosed
Send feedback