SCHEMBL29217641

SCHEMBL29217641

COc1ccc(N(Cc2ccccc2)C(=O)C(C)CCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ACHE P22303 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL27665020 0.85 MEN1 (0.54) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL16669947 0.79 RNF4 (0.57) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL16682042 0.79 RNF4 (0.57) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL10922368 0.78 RNF4 (0.67) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL27684803 0.77 HDAC2 (0.55) TRPM8ALDH1A1LMNAMEN1KMT2A
SCHEMBL10922363 0.77 RNF4 (0.69) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL12679677 0.76 ATM (0.51) TRPM8ALDH1A1NPC1RAB9ALTB4R2
SCHEMBL30522587 0.76 NPC1 (0.70) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL16670549 0.76 PTPRB (0.57) RNF4TRPM8ALDH1A1LMNAMEN1
SCHEMBL28119870 0.75 RNF4 (0.53) RNF4TRPM8ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115094449-B Method for synthesizing and marking halogenated indolone by using freon-type methane as carbon-synthesis son and application thereof 上海交通大学 2024-02-23 CN disclosed
CN-115094449-A Method for synthesizing and marking halogenated indolone by using freon type methane as carbon-carbon synthesizer and application thereof 上海交通大学 2022-09-23 CN disclosed