SCHEMBL10962944

SCHEMBL10962944

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.59
▸ HDAC4 P56524 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC10 Q969S8 1/20 0.59
▸ HDAC11 Q96DB2 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59
▸ HDAC9 Q9UKV0 1/20 0.59
▸ HDAC5 Q9UQL6 1/20 0.59
▸ KDM1A O60341 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL10964867 0.86 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10806812 0.81 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10962387 0.81 KMT2A (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10966051 0.81 RAB9A (0.64) KDM1ALMNAMAPTKMT2AMEN1
SCHEMBL10966433 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10921363 0.78 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3605683 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13233993 0.74 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1915932 0.74 KDM1A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30294203 0.74 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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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