SCHEMBL3417827

SCHEMBL3417827

CN(C(O)=S)C1(C)CN(c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
MAOB P27338 2/20 0.39
GPR6 P46095 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAOA P21397 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3431089 0.83 MAPT (0.43) HSP90AA1MAPTLMNAMEN1KMT2A
SCHEMBL3392358 0.79 MAOB (0.48) HSP90AA1MAPTLMNAMEN1KMT2A
SCHEMBL3434197 0.76 SMN1; SMN2 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3392359 0.73 F10 (0.58) LMNAMAOBMAOA
SCHEMBL3392749 0.72 MAOB (0.47) HSP90AA1MAPTLMNAMEN1KMT2A
SCHEMBL3392744 0.72 MAOB (0.57) HSP90AA1LMNAMEN1KMT2AMAOB
SCHEMBL3392748 0.70 MAOB (0.58) LMNAMAOBMAOA
SCHEMBL3396925 0.70 MAOB (0.45) MAPTLMNAMEN1KMT2AMAOB
SCHEMBL3394943 0.69 MAOB (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3392356 0.68 F10 (0.59) LMNAMAOBMAOA

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 claimed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 WO claimed