SCHEMBL11819130

SCHEMBL11819130

CCN(CC)CC(=O)c1ccc2c(c1)Cc1c(cccc1C(=O)CN(CC)CC)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ PARP1 P09874 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
Hydrochloric Acid SCHEMBL11813656 0.98 MAPT (0.40) ALDH1A1MAPTKDM4EAGTR1PARP1
SCHEMBL11811393 0.86 L3MBTL1 (0.38) MAPTCYP1A2CHRM2HTR1ACHRM1
SCHEMBL11818226 0.85 MAPT (0.48) ALDH1A1MAPTKDM4EAGTR1PARP1
Hydrochloric Acid SCHEMBL11816781 0.85 L3MBTL1 (0.40) MAPTCYP1A2CHRM2HTR1ACHRM1
Hydrochloric Acid SCHEMBL11873000 0.83 MAPT (0.46) ALDH1A1MAPTKDM4EAGTR1PARP1
SCHEMBL11861021 0.81 THRA (0.35) ALDH1A1MAPTKDM4EAGTR1CYP1A2
SCHEMBL11813184 0.80 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EOPRK1SMN1; SMN2
SCHEMBL11827023 0.77 CTNNB1 (0.36) KDM4ECNR1PDE4D
SCHEMBL11752267 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL11732533 0.74 THRA (0.38) MAPTCYP1A2TP53CYP2D6TSHR

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US claimed
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