SCHEMBL17009265

SCHEMBL17009265

N[SH](=O)=O.c1ccc(Cc2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.45
RAB9A P51151 3/20 0.45
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
ESR2 Q92731 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL45228 0.88 LMNA (0.50) LMNAHPGDRAB9ATAAR1ALDH1A1
SCHEMBL9825918 0.86 LMNA (0.49) LMNAHPGDRAB9ATAAR1ALDH1A1
Methane SCHEMBL11161392 0.86 LMNA (0.49) LMNAHPGDRAB9ATAAR1ALDH1A1
Ammonia Solution, Strong SCHEMBL27757668 0.86 LMNA (0.49) LMNAHPGDRAB9ATAAR1ALDH1A1
SCHEMBL28547424 0.84 CALM1 (0.50) LMNAHPGDRAB9ATAAR1ALDH1A1
Methyl Alcohol SCHEMBL5311361 0.82 LMNA (0.50) LMNAHPGDRAB9ATAAR1ALDH1A1
Piperazine SCHEMBL28202608 0.78 LMNA (0.42) LMNAHPGDRAB9ATAAR1ALDH1A1
Formic Acid Methyl Ester SCHEMBL28451641 0.77 LMNA (0.43) LMNAHPGDRAB9AALDH1A1POLB
Acrylic Acid SCHEMBL28989981 0.77 LMNA (0.50) LMNAHPGDRAB9AALDH1A1POLB
SCHEMBL10629184 0.77 CYP17A1 (0.44) LMNAHPGDRAB9ATAAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 WO disclosed