SCHEMBL3975883

SCHEMBL3975883

O=C(CN1CCNCC1)Nc1ccc2cc(C(=O)NO)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.57
TERT O14746 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
JAK3 P52333 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
SCHEMBL1886192 0.89 HDAC1 (0.60) HDAC1TERT
SCHEMBL1892705 0.87 HDAC1 (0.57) HDAC1
SCHEMBL3566111 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC2JAK3
SCHEMBL1885843 0.85 HDAC1 (0.55) HDAC1TERT
SCHEMBL1882719 0.83 HDAC1 (0.62) HDAC1
SCHEMBL1888509 0.81 ALDH1A1 (0.61) HDAC1
SCHEMBL1888099 0.81 DRD2 (0.58) HDAC1
SCHEMBL1890712 0.81 HDAC1 (0.56) HDAC1
SCHEMBL8252441 0.81 HDAC1 (0.61) HDAC1TERT
SCHEMBL1883996 0.80 KMT2A (0.58) HDAC1

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-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO claimed