SCHEMBL8652001

SCHEMBL8652001

N#C[C](CCCCCC(=O)NO)c1nc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.64
▸ HDAC2 Q92769 6/20 0.64
▸ HDAC6 Q9UBN7 5/20 0.64
▸ HDAC8 Q9BY41 3/20 0.64
▸ HDAC3 O15379 2/20 0.64
▸ HDAC4 P56524 2/20 0.64
▸ HDAC7 Q8WUI4 2/20 0.64
▸ HDAC10 Q969S8 2/20 0.64
▸ HDAC11 Q96DB2 2/20 0.64
▸ HDAC9 Q9UKV0 2/20 0.64
▸ HDAC5 Q9UQL6 2/20 0.64
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CRHBP P24387 1/20 0.46

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
SCHEMBL7829947 0.77 LMNA (0.67) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8234055 0.77 HDAC1 (0.79) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7829459 0.77 LMNA (0.67) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7831499 0.77 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL20545556 0.77 LMNA (0.67) RECQLMAPTALDH1A1NPC1RAB9A
SCHEMBL12046948 0.76 LMNA (0.68) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL12046962 0.74 LMNA (0.74) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL8047270 0.74 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8047185 0.72 HDAC1 (0.46) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL7382460 0.71 HPGD (0.65) RECQLMAPTALDH1A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 — — US disclosed
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