SCHEMBL11032036

SCHEMBL11032036

OC(/C=C/n1ncc(-c2ccccc2)n1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ADORA1 P30542 4/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ NEK2 P51955 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ WDR5 P61964 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
SCHEMBL7061585 0.76 KMT2A (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31023821 0.68 KMT2A (0.40) DAGLAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11268683 0.66 DAGLA (0.42) DAGLAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9418749 0.62 KMT2A (0.43) DAGLAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29009128 0.61 HCRTR1 (0.45) DAGLAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2716454 0.59 CYP11B1 (0.54) CYP11B1CYP11B2
SCHEMBL7918782 0.58 KMT2A (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10040497 0.58 CHRNB2 (0.48) MEN1KMT2AHCRTR1ALDH1A1
SCHEMBL11199840 0.58 DAGLA (0.42) DAGLAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11032039 0.57 TSHR (0.33) IDO1ALDH1A1

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
US-4507141-A Triazolylalkyl-thioether plant growth regulators and fungicides BAYER AKTIENGESELLSCHAFT (DE) 1985-03-26 — — US disclosed
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