SCHEMBL29582017

SCHEMBL29582017

O=C(OC1C[C@H]2COC[C@H]2C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.68
PTPN1 P18031 3/20 0.68
POLB P06746 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
PTPN6 P29350 2/20 0.49
PTPN11 Q06124 2/20 0.49
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8140569 0.90 PTPN2 (0.68) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL12275828 0.87 PTPN2 (0.61) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL23015486 0.86 POLB (0.67) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL636579 0.84 POLB (0.72) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL636578 0.84 POLB (0.72) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL16457010 0.84 POLB (0.72) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL636577 0.84 POLB (0.72) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL27232172 0.83 POLB (0.65) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL27228999 0.83 POLB (0.65) PTPN2PTPN1POLBSMN1; SMN2MAPT
SCHEMBL17883904 0.82 POLB (0.67) PTPN2PTPN1POLBSMN1; SMN2MAPT

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
EP-3995498-A1 THIENOPYRIMIDINE DERIVATIVES HAVING STEREO CONFIGURATIONS AND USE THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2022-05-11 EP disclosed