SCHEMBL8615545

SCHEMBL8615545

O=C(c1ccccc1)N(CCO)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
HDAC1 Q13547 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC3 O15379 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
CYP3A4 P08684 1/20 0.56
LPAR1 Q92633 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HDAC4 P56524 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
RCE1 Q9Y256 1/20 0.52

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
SCHEMBL154607 0.88 HPGD (0.53) LIMK2L3MBTL1HDAC1HDAC6HDAC3
SCHEMBL16869196 0.87 HDAC1 (0.57) LIMK2L3MBTL1HDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL27871652 0.86 HPGD (0.52) LIMK2L3MBTL1HDAC1HDAC6HDAC3
SCHEMBL766565 0.86 L3MBTL1 (0.58) LIMK2L3MBTL1HDAC1HDAC6HDAC3
SCHEMBL1003508 0.86 HDAC1 (0.71) L3MBTL1HDAC1HDAC6HDAC3HDAC7
SCHEMBL15111089 0.85 RCE1 (0.68) LIMK2L3MBTL1HDAC1HDAC6HDAC3
SCHEMBL16863157 0.85 HDAC6 (0.78) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL1926269 0.84 HDAC1 (0.73) L3MBTL1HDAC1HDAC6HDAC3HDAC7
SCHEMBL18269869 0.83 HDAC1 (0.64) LIMK2HDAC1HDAC6HDAC3HDAC7
Oxalic Acid SCHEMBL29264739 0.82 HDAC1 (0.67) L3MBTL1HDAC1HDAC6HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed