SCHEMBL6973867

SCHEMBL6973867

N=C(NCc1ccncc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 4/20 0.36
LSS P48449 1/20 0.36
MMP13 P45452 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9028080 0.89 L3MBTL1 (0.39) HDAC1HDAC6LSSMEN1POLB
SCHEMBL6968642 0.88 POLB (0.40) LMNASMN1; SMN2MEN1CYP1A2POLB
SCHEMBL6965891 0.84 ALDH1A1 (0.42) LMNASMN1; SMN2CYP3A4MEN1CYP1A2
Immethridine SCHEMBL845141 0.79 HRH4 (0.44) HDAC1HDAC6SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6962458 0.77 RAB9A (0.41) HDAC6SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9029336 0.77 POLB (0.40) LMNASMN1; SMN2MEN1CYP1A2POLB
Immethridine SCHEMBL27875904 0.74 HDAC1 (0.38) HDAC1HDAC6SMN1; SMN2CYP3A4POLB
SCHEMBL6966762 0.74 PRSS1 (0.46)
SCHEMBL6973879 0.73 HDAC6 (0.54) HDAC1HDAC6LMNAMMP13POLB
SCHEMBL9081323 0.73 ALDH1A1 (0.37) HDAC1HDAC6LMNALSSMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed