SCHEMBL7574362

SCHEMBL7574362

CCOCC[N]Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.38
NAAA Q02083 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.35
MIF P14174 1/20 0.35
LMNA P02545 1/20 0.33

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
SCHEMBL7582815 0.80 NOS2 (0.38) TP53TSHRALDH1A1NOS2KDM4E
SCHEMBL3373294 0.77 TP53 (0.46) SMN1; SMN2TP53TSHRALDH1A1NOS2
SCHEMBL10325242 0.76 TRPA1 (0.48) SMN1; SMN2TP53TSHRALDH1A1NOS2
SCHEMBL2776492 0.74 TP53 (0.42) SMN1; SMN2TP53ALDH1A1NOS2HPGD
SCHEMBL1653 0.73 ALDH1A1 (0.55) SMN1; SMN2TP53TSHRALDH1A1NOS2
SCHEMBL75088 0.73 RAB9A (0.53) RAB9ASMN1; SMN2TP53TSHRALDH1A1
SCHEMBL9819726 0.72 SIGMAR1 (0.44) SMN1; SMN2TP53TSHRCYP3A4
SCHEMBL2145 0.72 ALDH1A1 (0.50) TP53TSHRALDH1A1NOS2KDM4E
SCHEMBL29230056 0.71 TSHR (0.68) RAB9ASMN1; SMN2TP53NAAATSHR
SCHEMBL27676364 0.71 TSHR (0.61) RAB9ASMN1; SMN2TP53NAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132436-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1979-01-02 US claimed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US claimed
EP-0957135-B1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-09-25 EP disclosed
EP-0957135-A1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-11-17 EP disclosed
US-4132436-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1979-01-02 US disclosed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US disclosed