SCHEMBL9304316

SCHEMBL9304316

O=C(Nc1cccc(Cl)c1)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
IDO1 P14902 5/20 0.63
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP11B1 P15538 4/20 0.56
CYP11B2 P19099 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDR P35968 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TNF P01375 1/20 0.50
POLB P06746 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 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
SCHEMBL9303096 0.85 HDAC1 (0.61) HDAC1HDAC6IDO1LMNAMEN1
SCHEMBL9304188 0.84 HDAC1 (0.59) HDAC1HDAC6IDO1LMNAMEN1
SCHEMBL12850040 0.80 HDAC6 (1.00) HDAC1HDAC6IDO1LMNACYP11B1
SCHEMBL4511949 0.79 HDAC1 (0.70) HDAC1HDAC6IDO1LMNAMEN1
SCHEMBL3539977 0.78 HDAC1 (0.75) HDAC1HDAC6IDO1
SCHEMBL28326064 0.77 CYP11B1 (0.73) HDAC1HDAC6IDO1LMNAMEN1
SCHEMBL4506350 0.77 HDAC1 (0.64) HDAC1HDAC6IDO1LMNAMEN1
Potassium Ion SCHEMBL9302514 0.76 HDAC1 (0.70) HDAC1HDAC6IDO1LMNACYP11B1
SCHEMBL4507749 0.76 HDAC1 (0.66) HDAC1HDAC6IDO1LMNAMAPT
SCHEMBL1750364 0.76 HDAC1 (0.73) HDAC1HDAC6IDO1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed