SCHEMBL10964867

SCHEMBL10964867

O=C(Nc1nc(-c2ccccc2[N+](=O)[O-])cs1)OCC(Cl)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ KDM1A O60341 1/20 0.48
▸ KMT2A Q03164 7/20 0.45
▸ LMNA P02545 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44

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
SCHEMBL10962944 0.86 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10963204 0.83 MAPT (0.47) HDAC3HDAC1HDAC2KMT2ALMNA
SCHEMBL10962624 0.82 KMT2A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10962710 0.81 RAB9A (0.63) KDM1AKMT2ALMNAMAPTMEN1
SCHEMBL10806812 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10962775 0.80 MAPT (0.46) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL11010897 0.80 MAPT (0.47) KMT2ALMNAMAPTMEN1ALDH1A1
Lotifazole SCHEMBL286772 0.80 ELOVL1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10966433 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10968523 0.79 MAPT (0.47) KMT2ALMNAMAPTMEN1ALDH1A1

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-0068033-B1 N-(4-PHENYL-2-THIAZOLYL)CARBAMATE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1985-07-10 — — EP disclosed
US-4511574-A IMMUNOMODULATORS MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1985-04-16 — — US disclosed
EP-0068033-A1 N-(4-PHENYL-2-THIAZOLYL)CARBAMATE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU KAGAKU KABUSHIKI KAISHA (JP) 1983-01-05 — — EP disclosed
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