SCHEMBL8655211

SCHEMBL8655211

O=C(NCCCOc1ccncc1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 8/20 0.60
MEN1 O00255 3/20 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
ALOX15 P16050 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
Hydrochloric Acid SCHEMBL8966728 0.99 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL12895235 0.84 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL8516755 0.83 SMN1; SMN2 (0.90) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
Hydrochloric Acid SCHEMBL8616086 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL8967581 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL8966355 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL447095 0.80 KMT2A (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL31658991 0.80 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL9341104 0.80 KMT2A (0.83) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3
SCHEMBL12882979 0.80 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC3

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-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
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