SCHEMBL8669346

SCHEMBL8669346

CN(C(=O)C(N)CSSC(C)(C)C)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(C[C]=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
PDE4D Q08499 1/20 0.41
OPRK1 P41145 2/20 0.40
LMNA P02545 1/20 0.40
PDE3A Q14432 1/20 0.40
CCKBR P32239 5/20 0.38
CCKAR P32238 2/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NOTCH1 P46531 1/20 0.37
RBPJ Q06330 1/20 0.37
MCL1 Q07820 1/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 4/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35

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
SCHEMBL8669230 0.88 HTR2B (0.45) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8669415 0.82 HTR2B (0.39) HTR2BPDE4DOPRK1LMNAPDE3A
Tetrazole SCHEMBL8801776 0.79 CTSB (0.38) HTR2BPDE4DMAPTNPSR1MCL1
SCHEMBL8800443 0.79 CTSB (0.38) HTR2BPDE4DMAPTNPSR1MCL1
Tetrazole SCHEMBL8801092 0.79 CTSB (0.40) HTR2BPDE4DCCKBRMAPTNPSR1
SCHEMBL8672710 0.79 PDE4D (0.46) HTR2BPDE4DOPRK1LMNAPDE3A
SCHEMBL8800911 0.79 FNTA (0.45) HTR2BPDE4DMAPTNPSR1MCL1
Tetrazole SCHEMBL8801643 0.79 FNTA (0.41) HTR2BPDE4DMAPTNPSR1MCL1
SCHEMBL8801080 0.78 CTSB (0.40) HTR2BPDE4DMAPTNPSR1NOTCH1
SCHEMBL8801769 0.78 BRD4 (0.37) MAPTNPSR1MCL1BRD4BRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed