SCHEMBL25815600

SCHEMBL25815600

Cc1ccc2[nH]c(C(C)(C)C)c(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KIF11 P52732 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MLKL Q8NB16 1/20 0.44
▸ ACHE P22303 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.41

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
SCHEMBL10067362 0.83 MEN1 (0.59) MEN1KMT2AKIF11NPC1RAB9A
SCHEMBL22330351 0.81 LMNA (0.50) MEN1KMT2AMAPTHPGDGAA
SCHEMBL10067361 0.81 KMT2A (0.50) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10067389 0.81 LMNA (0.49) MEN1KMT2AMAPTHPGDL3MBTL1
SCHEMBL15099974 0.81 ALDH1A1 (0.47) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10067388 0.79 NPC1 (0.44) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10067359 0.79 KDM4E (0.44) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10067367 0.78 MEN1 (0.43) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10082774 0.78 L3MBTL1 (0.60) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL10067372 0.78 MEN1 (0.43) MEN1KMT2AKIF11ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 — — EP disclosed
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