SCHEMBL29367001

SCHEMBL29367001

NCCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ITPR1 Q14643 1/20 0.54
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
MTNR1A P48039 6/20 0.43
MTNR1B P49286 3/20 0.43
NPY1R P25929 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL17440482 1.00 MEN1 (0.60) MEN1KMT2AITPR1CA12CA1
SCHEMBL14542995 0.94 CA12 (0.57) MEN1KMT2AITPR1CA12CA1
SCHEMBL4971903 0.87 MEN1 (0.54) MEN1KMT2AITPR1CA12CA1
SCHEMBL31713966 0.86 KMT2A (0.66) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL15890186 0.85 ITPR1 (0.60) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL19786485 0.84 KMT2A (0.67) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL14940077 0.84 KMT2A (0.67) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL16011252 0.83 MEN1 (0.55) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL31036784 0.83 MEN1 (0.55) MEN1KMT2AITPR1MTNR1AMTNR1B
SCHEMBL1714410 0.82 KMT2A (0.68) MEN1KMT2AITPR1MTNR1AMTNR1B

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-110484242-B Fluorescent probe for detecting ferric ions in water and preparation and detection methods thereof 贵州大学 2022-05-17 CN claimed
CN-110208235-B Fluorescent probe for detecting pesticide dodine in water and detection method thereof 贵州大学 2022-02-01 CN claimed
CN-110484242-B Fluorescent probe for detecting ferric ions in water and preparation and detection methods thereof 贵州大学 2022-05-17 CN disclosed
CN-110484242-B Fluorescent probe for detecting ferric ions in water and preparation and detection methods thereof 贵州大学 2022-05-17 CN disclosed
CN-110208235-B Fluorescent probe for detecting pesticide dodine in water and detection method thereof 贵州大学 2022-02-01 CN disclosed
CN-110208235-B Fluorescent probe for detecting pesticide dodine in water and detection method thereof 贵州大学 2022-02-01 CN disclosed