SCHEMBL29291077

SCHEMBL29291077

CCS(=O)(=O)CC.Clc1ccc(Cc2nnco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGER1 P34995 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL30578709 0.87 KMT2A (0.44) ALOX12KMT2APOLBNPC1MAPK1
SCHEMBL29291086 0.85 NOTUM (0.39) PTGER1POLBNPC1MAPK1MAPT
SCHEMBL29291074 0.85 ALDH1A1 (0.39) KMT2APTGER1NPC1ALDH1A1LMNA
SCHEMBL29291073 0.81 LMNA (0.40) PTGER1NPC1ALDH1A1LMNAMAPT
Ethoxycarbonyl Group SCHEMBL29082342 0.81 KMT2A (0.36) ALOX12KMT2APOLBNPC1MAPK1
SCHEMBL23997326 0.71 RAB9A (0.42) KMT2APOLBNPC1MAPK1ALDH1A1
SCHEMBL17994177 0.71 NOTUM (0.48) POLBNPC1MAPK1HPGDTSHR
SCHEMBL23997494 0.71 HRH3 (0.38) —
SCHEMBL29291079 0.71 ALDH1A1 (0.42) KMT2APOLBALDH1A1LMNAMAPT
SCHEMBL9494 0.70 RAB9A (0.47) KMT2ANPC1MAPK1ALDH1A1HPGD

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
CN-109705054-A The thioether sulfone compound and its preparation method and application of one class preventing and control Banana Root nematode 贵州大学 2019-05-03 — — CN claimed
CN-109705054-A The thioether sulfone compound and its preparation method and application of one class preventing and control Banana Root nematode 贵州大学 2019-05-03 — — CN disclosed
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