SCHEMBL9986338

SCHEMBL9986338

O=C(OCc1ccccc1)N1CCCC(c2cnc[nH]2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.55
JAK1 P23458 4/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
USP30 Q70CQ3 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 2/20 0.46
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
GRIN2B Q13224 3/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 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
SCHEMBL7502653 0.83 JAK2 (0.57) JAK2JAK1TYK2JAK3USP30
SCHEMBL9986596 0.81 USP30 (0.56) JAK2JAK1TYK2JAK3USP30
SCHEMBL29806002 0.81 USP30 (0.56) JAK2JAK1TYK2JAK3USP30
SCHEMBL46733 0.81 PREP (0.50)
SCHEMBL29087342 0.80 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL9986277 0.78 JAK2 (0.59) JAK2JAK1TYK2JAK3USP30
SCHEMBL29806318 0.77 JAK2 (0.52) JAK2JAK1TYK2JAK3USP30
SCHEMBL29080164 0.77 JAK2 (0.52) JAK2JAK1TYK2JAK3USP30
SCHEMBL13490506 0.76 JAK2 (0.55) JAK2JAK1TYK2JAK3USP30
SCHEMBL5368396 0.76 SMN1; SMN2 (0.60) JAK2JAK1TYK2JAK3USP30

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
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed