SCHEMBL4745883

SCHEMBL4745883

O=C1CSC(c2cccc(I)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GFER P55789 3/20 0.53
MAPT P10636 1/20 0.49
METAP1 P53582 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47

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
SCHEMBL4748024 0.90 CA1 (0.67) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747965 0.88 KMT2A (0.56) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743949 0.88 ALDH1A1 (0.64) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743528 0.87 KMT2A (0.74) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4747343 0.87 KMT2A (0.58) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743907 0.87 KMT2A (0.55) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4745908 0.87 CA1 (0.63) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743906 0.87 CA1 (0.57) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4743532 0.86 GFER (0.70) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4745889 0.86 KMT2A (0.66) KMT2ACA1CA2CA9ALDH1A1

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