SCHEMBL29480832

SCHEMBL29480832

CCN(CC)CCCC(C)NC(=O)c1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ CXCR4 P61073 2/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ POLB P06746 4/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CACNA2D1 P54289 4/20 0.42

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
SCHEMBL11418329 0.77 KMT2A (0.54) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL11425169 0.75 KMT2A (0.53) MEN1KMT2ARAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL11429830 0.74 KMT2A (0.52) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL11417759 0.71 KMT2A (0.50) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL28432390 0.71 KMT2A (0.51) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL28433245 0.71 KMT2A (0.57) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL28433244 0.71 KMT2A (0.57) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL3454251 0.70 BTK (0.62) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL3454253 0.70 BTK (0.62) MEN1KMT2ARAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL11426092 0.69 KMT2A (0.48) MEN1KMT2ARAB9AMAPTLMNA

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
CN-115210218-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2022-10-18 — — CN disclosed
CN-114401963-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2022-04-26 — — CN disclosed
CN-114341142-A Strigolactone derivatives as plant growth regulator compounds 先正达农作物保护股份公司 2022-04-12 — — CN disclosed
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