SCHEMBL10894194

SCHEMBL10894194

CCNc1ccc(N)cc1S(=O)(=O)N(CC)CCN(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.36
▸ LMNA P02545 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ ACHE P22303 2/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ THRB P10828 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
SCHEMBL10891838 0.80 SIGMAR1 (0.47) LMNAALDH1A1ACHESLC22A2SLC22A1
SCHEMBL10895262 0.78 L3MBTL3 (0.50) ALDH1A1MAPK1GAAGFER
SCHEMBL10893396 0.77 L3MBTL3 (0.46) ALDH1A1MAPK1GFER
SCHEMBL10894138 0.76 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRCYP2C19GAA
SCHEMBL10893391 0.76 GAA (0.36) LMNAALDH1A1ACHESLC22A2SLC22A1
Hydrochloric Acid SCHEMBL10889858 0.75 SMN1; SMN2 (0.45) ALDH1A1CYP2C19GAAMAPTKDM4E
SCHEMBL10894580 0.75 CHEK1 (0.45) LMNAALDH1A1ACHESLC22A2SLC22A1
SCHEMBL9083398 0.73 RAPGEF4 (0.59) LMNAALDH1A1TSHRGAAMAPT
SCHEMBL10894209 0.72 SERPINE1 (0.35) SERPINE1LMNAALDH1A1TSHRMEN1
SCHEMBL8861429 0.71 MAPT (0.39) LMNAALDH1A1TSHRCYP2C19GAA

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 — — EP disclosed
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