SCHEMBL9986277

SCHEMBL9986277

O=C(OCc1ccccc1)N1CCCC(c2ncc[nH]2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.59
JAK1 P23458 6/20 0.59
TYK2 P29597 4/20 0.59
JAK3 P52333 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GRIN2B Q13224 7/20 0.48
USP30 Q70CQ3 1/20 0.48
HTR2B P41595 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4B Q07343 1/20 0.46
LCK P06239 1/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL29080044 0.83 JAK2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL13374857 0.81 TMEM97 (0.49)
SCHEMBL13490506 0.81 JAK2 (0.55) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL7502653 0.81 JAK2 (0.57) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4513756 0.80 JAK2 (0.54) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29087342 0.80 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29080164 0.80 JAK2 (0.52) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29806002 0.79 USP30 (0.56) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL9986596 0.79 USP30 (0.56) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL31603397 0.79 PARP1 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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