SCHEMBL7297932

SCHEMBL7297932

COc1cccc(F)c1Oc1c(Cl)ncnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DHPS P49366 2/20 0.41
▸ AR P10275 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ TRPA1 O75762 2/20 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
SCHEMBL1748457 0.78 DHPS (0.50) KMT2AMEN1HPGDDHPSNFE2L2
SCHEMBL2062610 0.76 PIN1 (0.47) HTR1ASLC6A2SLC6A4SLC6A3HPGD
SCHEMBL7303200 0.75 NPBWR1 (0.48) KMT2AMEN1DHPSLRRK2NFE2L2
SCHEMBL7298131 0.75 TRPA1 (0.45) KMT2AMEN1HPGDDHPSLRRK2
SCHEMBL1627720 0.73 NFE2L2 (0.50) KMT2AHPGDARSMN1; SMN2NFE2L2
SCHEMBL29669870 0.73 NFE2L2 (0.50) KMT2AHPGDARSMN1; SMN2NFE2L2
Pyrimidine SCHEMBL628523 0.72 DHPS (0.45) KMT2AMEN1HPGDDHPSNFE2L2
SCHEMBL3993731 0.71 AR (0.55) HTR1ASLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL305881 0.71 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3DHPS
SCHEMBL1619631 0.69 SMN1; SMN2 (0.52) HTR1ASLC6A2SLC6A4SLC6A3KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 — — EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 — — US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 — — EP disclosed
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