SCHEMBL11680348

SCHEMBL11680348

CCC(CN(CC)c1ccccc1)OC(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ NOX1 Q9Y5S8 2/20 0.51
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43

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
SCHEMBL11675676 0.90 KMT2A (0.49) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11379075 0.83 SLC18A3 (0.44) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11676202 0.81 CNR2 (0.44) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11825775 0.80 TP53 (0.41) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11677517 0.79 MEN1 (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL22459216 0.79 CTSK (0.48) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11670540 0.78 TDP1 (0.40) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11676164 0.78 MEN1 (0.50) MEN1KMT2ARAB9ANPC1NOX1
SCHEMBL11676363 0.75 UTS2R (0.46) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10409304 0.75 KMT2A (0.50) MEN1KMT2ARAB9ANPC1NOX1

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-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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