SCHEMBL8431978

SCHEMBL8431978

CSc1ccc(C(=O)c2ccc(SC)cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
PLK1 P53350 1/20 0.50
HPGD P15428 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CYP1A2 P05177 2/20 0.45
PDE4A P27815 2/20 0.45
PDE4D Q08499 2/20 0.45
LMNA P02545 2/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL3161431 0.79 MCL1 (0.72) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL1020499 0.79 MCL1 (0.56) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL8121527 0.78 MCL1 (0.70) MCL1PLK1ALDH1A1MAPTGAA
SCHEMBL6182687 0.78 PLK1 (0.61) PLK1HPGDMEN1KMT2AALDH1A1
SCHEMBL30826508 0.78 MCL1 (0.55) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL11757507 0.77 PLK1 (0.49) PLK1HPGDALDH1A1NPC1MAPT
SCHEMBL6841440 0.76 SIRT1 (0.59) MCL1PLK1HPGDMAPTGAA
SCHEMBL22431606 0.76 MCL1 (0.45) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL3152318 0.75 CA12 (0.62) MCL1HPGDMEN1KMT2AALDH1A1
SCHEMBL21951012 0.75 ALDH1A1 (0.65) MCL1HPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891995-A Substituted benzhydrylamines as handles for solid phase peptide synthesis AVENTIS PHARMACEUTICALS INC. 1999-04-06 US disclosed
US-5684131-A Substituted benzhydrylamines as handles for solid phase peptide synthesis LEBL MICHAL (US) 1997-11-04 US disclosed
EP-0579785-B1 SUBSTITUTED BENZHYDRYLAMINES AS HANDLES FOR SOLID PHASE PEPTIDE SYNTHESIS LEBL MICHAL (US) 1996-07-03 EP disclosed
EP-0579785-A4 SUBSTITUTED BENZHYDRYLAMINES AS HANDLES FOR SOLID PHASE PEPTIDE SYNTHESIS LEBL MICHAL (US) 1994-07-06 EP disclosed
EP-0579785-A1 SUBSTITUTED BENZHYDRYLAMINES AS HANDLES FOR SOLID PHASE PEPTIDE SYNTHESIS. LEBL MICHAL (US) 1994-01-26 EP disclosed
WO-1992018144-A1 SUBSTITUTED BENZHYDRYLAMINES AS HANDLES FOR SOLID PHASE PEPTIDE SYNTHESIS LEBL MICHAL (US) 1992-10-29 WO disclosed