SCHEMBL7974287

SCHEMBL7974287

O=C(O)C(=O)Nc1cccc(N(C2CCCC2)S(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
NR1H3 Q13133 1/20 0.42
MCL1 Q07820 2/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2L1 Q07817 1/20 0.38
ABCC1 P33527 2/20 0.37
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.35
AKR1C3 P42330 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 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
SCHEMBL8187040 0.77 MCL1 (0.61) ESR1NR1H3MCL1MEN1ALDH1A1
SCHEMBL8187036 0.77 LMNA (0.51) MCL1ALDH1A1KDM4ENPSR1ABCC1
SCHEMBL8194331 0.70 MMP3 (0.44) MEN1ALDH1A1KMT2AKDM4EGAA
SCHEMBL7988047 0.69 GPR35 (0.46) MEN1KMT2AKDM4EGAASMN1; SMN2
SCHEMBL11835239 0.68 GPR35 (0.64) GPR35PTPRCPTPN2PTPN1PTPRB
SCHEMBL7988976 0.65 GPR35 (0.42) ALDH1A1GAAGPR35PTPRCPTPN2
SCHEMBL7984952 0.64 GPR35 (0.43) ALDH1A1KDM4EGPR35PTPRCPTPN2
SCHEMBL7988900 0.63 GPR35 (0.56) MEN1KMT2AKDM4EGPR35HSD17B10
SCHEMBL18086590 0.62 ALDH1A1 (0.32) ALDH1A1ABCC1GPR35LMNA
SCHEMBL15847408 0.62 ALDH1A1 (0.32) ALDH1A1ABCC1GPR35LMNA

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
EP-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
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-1062199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046236-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed