SCHEMBL10325280

SCHEMBL10325280

CC(C)NC(C)CP(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
TAAR1 Q96RJ0 3/20 0.38
SLC18A2 Q05940 1/20 0.38
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3559030 0.77 TSHR (0.50) SIGMAR1TAAR1SLC18A2TSHRMEN1
Hydrochloric Acid SCHEMBL3555371 0.76 TSHR (0.48) SIGMAR1TAAR1SLC18A2TSHRKMT2A
SCHEMBL28065470 0.76 LTA4H (0.39) TAAR1TSHRIDO1KMT2ANPC1
SCHEMBL28027281 0.73 TSHR (0.36) SIGMAR1TAAR1SLC18A2TSHRIDO1
SCHEMBL25589819 0.70 SIGMAR1 (0.68) SIGMAR1TAAR1SLC18A2TSHRCYP1A2
SCHEMBL5072576 0.70 SIGMAR1 (0.68) SIGMAR1TAAR1SLC18A2TSHRCYP1A2
SCHEMBL9637850 0.70 TSHR (0.48) TSHRCYP1A2IDO1
SCHEMBL5072573 0.70 SIGMAR1 (0.68) SIGMAR1TAAR1SLC18A2TSHRCYP1A2
Hydrochloric Acid SCHEMBL3550627 0.70 TSHR (0.45) SIGMAR1TAAR1SLC18A2TSHRBCHE
Hydrochloric Acid SCHEMBL7037524 0.69 SIGMAR1 (0.66) SIGMAR1TAAR1SLC18A2TSHRCYP1A2

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
EP-4363425-A1 SMARCA DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-05-08 EP disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2014014845-A1 COMBINATION THERAPY COMPRISING|1 -ETHYL-3-[5-[2-{1 -HYDROXY-1 -METHYL-ETHYL}PYRIMIDIN-5-YL]-7-(TETRA HYDROFURAN-2-|YL}-1 H-BENZIMIDAZOL-2-YL]UREA AND DERIVATIVES THEREOF TO TREAT MYCOBACTERIUM|DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-23 WO disclosed
EP-2663557-A1 PYRIMIDINE GYRASE AND TOPOISOMERASE IV INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2013-11-20 EP disclosed
WO-2012097269-A1 PYRIMIDINE GYRASE AND TOPOISOMERASE IV INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 WO disclosed