SCHEMBL3431089

SCHEMBL3431089

C[C@]1(CNC(O)=S)CN(c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 7/20 0.42
TSHR P16473 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
F10 P00742 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PTGS1 P23219 1/20 0.38
CALML3 P27482 1/20 0.38
SDHA P31040 1/20 0.38
AKR1C3 P42330 1/20 0.38
USP2 O75604 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
SCHEMBL3434197 0.91 SMN1; SMN2 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3434523 0.83 F10 (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3417827 0.83 HSP90AA1 (0.42) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3431767 0.83 MAOB (0.39) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3432932 0.83 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL3430460 0.81 LMNA (0.41) LMNAALDH1A1MAOAMAOBF10
SCHEMBL3432819 0.81 DRD2 (0.43) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3392359 0.80 F10 (0.58) LMNAMAOAMAOBF10PTGS1
SCHEMBL3392748 0.74 MAOB (0.58) LMNAMAOAMAOBF10PTGS1
SCHEMBL3392358 0.74 MAOB (0.48) MAPTLMNAMEN1KMT2AALDH1A1

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