SCHEMBL8966355

SCHEMBL8966355

O=C(NCCCCSc1ccncc1)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 3/20 0.53
ALOX15 P16050 1/20 0.52
NAMPT P43490 1/20 0.52
EPHX2 P34913 1/20 0.50
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL8967581 0.96 SMN1; SMN2 (0.62) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8621053 0.91 SMN1; SMN2 (0.57) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8617641 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8967222 0.83 RAB9A (0.64) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8617518 0.82 KMT2A (0.52) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8966762 0.81 KDM4E (0.58) SMN1; SMN2HDAC3HDAC1KMT2AMEN1
SCHEMBL8516755 0.80 SMN1; SMN2 (0.90) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8655211 0.80 SMN1; SMN2 (0.65) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8966297 0.80 KDM4E (0.56) SMN1; SMN2HDAC3HDAC1KMT2AMEN1
SCHEMBL8641088 0.80 NAAA (0.56) SMN1; SMN2HDAC7ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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