SCHEMBL11317412

SCHEMBL11317412

COc1cc(C)ccc1N=S(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 1/20 0.36

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
SCHEMBL13888877 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4HPGDTDP1
SCHEMBL11057456 0.76 NPC1 (0.46) ALDH1A1CYP3A4HPGDTDP1POLB
SCHEMBL5163392 0.75 CA1 (0.48) ALDH1A1HPGDTDP1KMT2AL3MBTL1
SCHEMBL12461104 0.75 ACHE (0.56) ACHEALDH1A1CYP3A4HPGDTDP1
SCHEMBL20663360 0.75 ACHE (0.56) ACHEALDH1A1CYP3A4HPGDTDP1
SCHEMBL5252562 0.74 ALDH1A1 (0.71) ACHEALDH1A1CYP3A4HPGDTDP1
SCHEMBL11581911 0.73 RAB9A (0.33) ALDH1A1CYP3A4HPGDKDM4EKMT2A
SCHEMBL11733174 0.73 RAB9A (0.46) ALDH1A1CYP3A4HPGDPOLBKDM4E
SCHEMBL28108539 0.73 MAPT (0.36) ACHEALDH1A1CYP3A4KMT2AMEN1
SCHEMBL8640404 0.73 CYP1A2 (0.40) ALDH1A1CYP3A4HPGDTDP1POLB

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-4290771-A DIAZONIUM SALT BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1981-09-22 — — US disclosed
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