SCHEMBL4743988

SCHEMBL4743988

O=C1CSC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.57
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR7 P34969 2/20 0.51
CACNA1B Q00975 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44

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
SCHEMBL4743939 0.92 ALDH1A1 (0.61) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4746786 0.91 KMT2A (0.62) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL14069571 0.91 KMT2A (0.56) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4746692 0.90 KMT2A (0.55) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4743511 0.90 KMT2A (0.55) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4746803 0.90 KMT2A (0.70) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4743915 0.90 KMT2A (0.55) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4743953 0.88 GFER (0.60) GFERKMT2AALDH1A1HTR7CACNA1B
SCHEMBL4744239 0.88 KMT2A (0.64) GFERKMT2AALDH1A1HTTNPSR1
SCHEMBL4747346 0.88 KMT2A (0.53) GFERKMT2AALDH1A1HTTNPSR1

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