SCHEMBL7989568

SCHEMBL7989568

COc1c(N)ccc([N+](=O)[O-])c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
TDP1 Q9NUW8 7/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
G6PD P11413 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL11874413 0.87 HTT (0.47) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL7351196 0.85 TSHR (0.49) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL6237101 0.85 TSHR (0.49) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL11422449 0.84 TDP1 (0.47) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL25821886 0.84 HTT (0.45) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL924102 0.83 TDP1 (0.52) HTTTDP1TSHRALDH1A1KMT2A
SCHEMBL8377814 0.78 ALDH1A1 (0.55) TDP1ALDH1A1MAPTKMT2APOLB
SCHEMBL5678525 0.78 ALDH1A1 (0.46) TDP1TSHRALDH1A1MAPTMEN1
SCHEMBL13721530 0.77 TDP1 (0.57) HTTTDP1TSHRALDH1A1MAPT
SCHEMBL6599426 0.77 TPMT (0.50) HTTTDP1TSHRALDH1A1MAPT

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
CN-117425404-A Method for storing MRNA compositions 伊泽阿恩埃免疫疗法股份有限公司 2024-01-19 CN claimed
CN-117651777-A Methods for reducing double stranded RNA byproduct formation 伊泽阿恩埃免疫疗法股份有限公司 2024-03-05 CN disclosed
CN-117425404-A Method for storing MRNA compositions 伊泽阿恩埃免疫疗法股份有限公司 2024-01-19 CN disclosed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed