SCHEMBL11298475

SCHEMBL11298475

CC1=CCC(=O)C=C1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACHE P22303 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7684345 0.76 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL10788942 0.75
SCHEMBL12039453 0.70
SCHEMBL10313767 0.70 TSHR (0.34) TSHRALDH1A1TDP1ACHEHSD17B10
SCHEMBL9743198 0.66
SCHEMBL19181459 0.63 EEF2K (0.43)
SCHEMBL5842044 0.62 MEN1 (0.30) MEN1KMT2A
SCHEMBL8369703 0.61
SCHEMBL15287431 0.61 ACHE (0.31) TSHRALDH1A1TDP1ACHEHSD17B10
SCHEMBL11802296 0.60 LMNA (0.33) TSHRALDH1A1TDP1ACHELMNA

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-102718692-A Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN claimed
CN-102718692-B Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2014-01-08 CN disclosed
CN-102718692-B Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2014-01-08 CN disclosed
CN-102718692-A Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN disclosed
CN-102718692-A Preparation method of 7-bit methyl-5-bit oxygen-substituted indole compounds SUZHOU HEJIAN MEDICAL TECHNOLOGY CO LTD 2012-10-10 CN disclosed
EP-0019744-B1 PROCESS FOR THE PREPARATION OF 3-NITRO-4-METHYLPHENYL CHLOROFORMATE BASF Aktiengesellschaft (DE) 1982-12-29 EP disclosed