Sugi Predict

Sugi Predict / Compounds / SCHEMBL3417629

SCHEMBL3417629

SCHEMBL3417629

COC(=S)N(C)C1CN(c2ccc(N3CCN(C(=O)c4cnc(C)cn4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.45
▸ MAOA P21397 5/20 0.43
▸ LMNA P02545 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CALML3 P27482 1/20 0.41
▸ SDHA P31040 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ F10 P00742 7/20 0.39
▸ TOP2B Q02880 1/20 0.38

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
SCHEMBL3392258 0.92 MAOB (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394844 0.90 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394803 0.90 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395525 0.89 KMT2A (0.46) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3392403 0.88 MAOB (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397702 0.87 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397394 0.86 MAOB (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3397399 0.86 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3395638 0.86 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3390781 0.86 MAOB (0.44) MAOBMAOALMNAPTGS1CALML3

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
EP-2170874-A2 NOVEL COMPOUNDS AND THEIR USE Orchid Research Laboratories Limited (IN) 2010-04-07 — — EP disclosed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 — — WO disclosed