SCHEMBL7847232

SCHEMBL7847232

O=C(O)C(=O)Nc1cc(Br)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.59
GPR35 Q9HC97 1/20 0.56
PTPN1 P18031 5/20 0.56
KCNK2 O95069 1/20 0.52
KCNK10 P57789 1/20 0.52
PTPRC P08575 2/20 0.51
PTPN2 P17706 2/20 0.51
PTPRB P23467 2/20 0.51
PTPRE P23469 2/20 0.51
PTPN6 P29350 2/20 0.51
PTPRA P18433 1/20 0.51
GRIK1 P39086 5/20 0.50
GRIK2 Q13002 1/20 0.47
STING1 Q86WV6 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
APEX1 P27695 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
SCHEMBL3915465 0.82 ALDH1A1 (0.61) ACLYKCNK2KCNK10GRIK1GRIK2
SCHEMBL29144725 0.81 ALDH1A1 (0.59) ACLYKCNK2KCNK10GRIK1GRIK2
SCHEMBL7848210 0.80 GPR35 (0.58) GPR35PTPN1PTPRCPTPN2PTPRB
SCHEMBL9942872 0.79 ACLY (0.55) ACLYKCNK2KCNK10GRIK1GRIK2
SCHEMBL7848417 0.79 PTPN1 (0.56) GPR35PTPN1KCNK2PTPRCPTPN2
SCHEMBL7846225 0.79 GRIK1 (0.64) PTPN1GRIK1KDM4EALDH1A1
SCHEMBL5145373 0.78 ACLY (0.71) ACLYGPR35KCNK2KCNK10GRIK1
SCHEMBL16632333 0.78 ACLY (0.54) ACLYGPR35KCNK2KCNK10GRIK1
SCHEMBL4152400 0.78 ACLY (0.54) ACLYKCNK2KCNK10GRIK1KDM4E
Hydrochloric Acid SCHEMBL145407 0.76 ACLY (0.53) ACLYGPR35KCNK2KCNK10GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed