SCHEMBL9000293

SCHEMBL9000293

O=C(S)C(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 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
SCHEMBL4388492 0.83 CYP1A2 (0.45) CYP1A2CA2CA4ALDH1A1LMNA
Silver SCHEMBL886994 0.82 CYP1A2 (0.39) CYP1A2CA2CA4ALDH1A1LMNA
SCHEMBL886995 0.82 CYP1A2 (0.43) CYP1A2CA2CA4ALDH1A1LMNA
SCHEMBL20702221 0.80 CYP1A2 (0.42) CYP1A2CA2CA4ALDH1A1LMNA
SCHEMBL1132752 0.80 CYP1A2 (0.38) CYP1A2CA2CA4ALDH1A1LMNA
SCHEMBL9000298 0.78 ALDH1A1 (0.38) CYP1A2CA2CA4ALDH1A1LMNA
SCHEMBL6543918 0.76 KCNN4 (0.56) ALDH1A1CES1MAPTKMT2AKCNN4
SCHEMBL4821001 0.74 ALDH1A1 (0.42) CYP1A2ALDH1A1LMNACES2CES1
SCHEMBL114442 0.73 ALDH1A1 (0.46) CYP1A2ALDH1A1LMNACES2CES1
SCHEMBL28198837 0.72 PIN1 (0.47) CYP1A2ALDH1A1CES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269426-B Preparation method of polylactic acid-polybutyrolactam bio-based degradable copolymer 华东理工大学 2021-12-14 CN claimed
CN-111269426-A Preparation method of polylactic acid-polybutyrolactam bio-based degradable copolymer 华东理工大学 2020-06-12 CN claimed
WO-1996014832-A1 SYNTHETIC LIPOSOMES FOR ENHANCED UPTAKE AND DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-05-23 WO disclosed
US-5512295-A DRUG DELIVERY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-04-30 US disclosed
US-4565696-A ADMINISTERING TO PRODUCE ANTIBODIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-01-21 US disclosed