SCHEMBL7324718

SCHEMBL7324718

CCN(CC)Cc1ccc2cc(CNNC(=O)c3ccc(C(=O)Cl)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.52
HDAC3 O15379 8/20 0.52
HDAC2 Q92769 7/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ESRRG P62508 1/20 0.42
ACHE P22303 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL7313150 0.89 HDAC6 (0.64) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7321545 0.89 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC8
Hydrochloric Acid SCHEMBL7314765 0.88 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL18393994 0.80 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC8
Hydrochloric Acid SCHEMBL7324476 0.79 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC8
Hydrochloric Acid SCHEMBL7315900 0.77 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL7324711 0.77 HDAC6 (0.44) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL24503175 0.76 HDAC6 (0.54) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL23563367 0.76 HDAC6 (0.78) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL5393101 0.76 HDAC8 (0.64) HDAC6HDAC8ACHEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed
EP-0901465-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.p.A. (IT) 1999-03-17 EP disclosed
WO-1997043251-A1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO S.P.A. (IT) 1997-11-20 WO disclosed