SCHEMBL9569303

SCHEMBL9569303

O=C(CCCCCCn1c[c]nc1)N1CCOC(SO)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6401686 0.99 TPSAB1 (0.34) TPSAB1TPSD1TPSG1HPGDMAPT
SCHEMBL5982410 0.81 HPGD (0.45) TPSAB1TPSD1TPSG1HPGDALDH1A1
SCHEMBL5983070 0.81 HPGD (0.45) TPSAB1TPSD1TPSG1HPGDALDH1A1
SCHEMBL5982386 0.81 HPGD (0.45) TPSAB1TPSD1TPSG1HPGDALDH1A1
SCHEMBL5982461 0.79 GLA (0.43) TPSAB1TPSD1TPSG1HPGDALDH1A1
SCHEMBL5982713 0.78 HPGD (0.32) HPGDMAPTALDH1A1LMNAMAPK1
SCHEMBL9136130 0.78 HPGD (0.32) HPGDMAPTALDH1A1LMNAMAPK1
SCHEMBL5982318 0.76 TPSAB1 (0.38) TPSAB1TPSD1TPSG1HPGDMAPT
SCHEMBL5982578 0.76 TPSAB1 (0.38) TPSAB1TPSD1TPSG1HPGDMAPT
SCHEMBL5982685 0.76 TPSAB1 (0.38) TPSAB1TPSD1TPSG1HPGDMAPT

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
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed