SCHEMBL7436191

SCHEMBL7436191

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
NTRK1 P04629 4/20 0.37
NTRK2 Q16620 4/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITK Q08881 3/20 0.37
TXK P42681 1/20 0.37
ALOX5AP P20292 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ACSL1 P33121 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7115169 0.92 F2 (0.42) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7437334 0.89 F2 (0.41) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7120171 0.87 HDAC1 (0.43) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7117041 0.83 KCNH2 (0.41) F2HDAC1NTRK1NTRK2NPC1
SCHEMBL7116629 0.83 ITK (0.38) F2HDAC1ITKALDH1A1ACSL1
Hydrochloric Acid SCHEMBL7427082 0.81 F2 (0.59) F2
Hydrochloric Acid SCHEMBL7438891 0.81 F2 (0.57) F2
Hydrochloric Acid SCHEMBL7437071 0.80 F2 (0.56) F2
Hydrochloric Acid SCHEMBL7436811 0.79 F2 (0.56) F2
SCHEMBL6160686 0.79 NPC1 (0.44) F2HDAC1HDAC8NTRK1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed