SCHEMBL305500

SCHEMBL305500

COc1ccc(-c2cnc(-c3cc(Nc4cccc5c4CCN([S+](C)[O-])C5)ccc3C)[nH]2)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.34
FYN P06241 2/20 0.31
DGAT1 O75907 1/20 0.31
KIT P10721 2/20 0.31
BRD4 O60885 1/20 0.30
ATAD2 Q6PL18 1/20 0.30
ORAI1 Q96D31 1/20 0.30

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
SCHEMBL304148 0.88 JAK2 (0.33)
SCHEMBL1922562 0.87 NPY5R (0.38)
SCHEMBL302220 0.86 NPY5R (0.35) TNIKKIT
SCHEMBL305501 0.85 TNIK (0.41) TNIK
SCHEMBL305998 0.80 ACP1 (0.35)
SCHEMBL305389 0.77 CARM1 (0.37) BRD4
SCHEMBL27950080 0.76 TNIK (0.37) TNIK
SCHEMBL1922064 0.75 METAP2 (0.32) BRD4
SCHEMBL304707 0.75 CCNT1 (0.35)
SCHEMBL2029654 0.75 ALDH1A1 (0.41) TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed