SCHEMBL4744264

SCHEMBL4744264

COc1ccc(Nc2ccc(N3C(=O)CSC3c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
GFER P55789 4/20 0.61
HTR7 P34969 2/20 0.56
MEN1 O00255 1/20 0.56
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL4747942 0.94 KMT2A (0.74) KMT2AGFERHTR7MEN1TUBB4A
SCHEMBL4746803 0.91 KMT2A (0.70) KMT2AGFERHTR7MEN1TUBB4A
SCHEMBL4747958 0.87 HTR7 (0.51) KMT2AGFERHTR7ALDH1A1SMN1; SMN2
SCHEMBL4747970 0.86 KMT2A (0.61) KMT2AGFERHTR7MEN1TUBB4A
SCHEMBL4743953 0.83 GFER (0.60) KMT2AGFERHTR7ALDH1A1SMN1; SMN2
SCHEMBL4743939 0.83 ALDH1A1 (0.61) KMT2AGFERHTR7MEN1ALDH1A1
SCHEMBL4746786 0.82 KMT2A (0.62) KMT2AGFERHTR7MEN1ALDH1A1
SCHEMBL14069571 0.82 KMT2A (0.56) KMT2AGFERHTR7MEN1TUBB4A
SCHEMBL4746692 0.81 KMT2A (0.55) KMT2AGFERHTR7MEN1ALDH1A1
SCHEMBL4743511 0.81 KMT2A (0.55) KMT2AGFERHTR7MEN1ALDH1A1

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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed