SCHEMBL9665294

SCHEMBL9665294

C[CH]CSc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
G6PD P11413 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL4790237 0.83 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL10918956 0.82 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL10918952 0.82 NPC1 (0.44) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL10516600 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL2554286 0.79 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL7648727 0.79 MAOA (0.39) NPC1RAB9AALDH1A1MAPTACHE
SCHEMBL18379890 0.79 RAB9A (0.41) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL1454008 0.78 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL19798033 0.74 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTACHE
SCHEMBL5168911 0.74 NPC1 (0.65) NPC1RAB9AALDH1A1MAPTMAPK1

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
US-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP disclosed