SCHEMBL5189648

SCHEMBL5189648

O=C(NCc1ccccc1)NC(Cc1ccc(CP(=O)(OF)OF)cc1)c1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.44
CCR3 P51677 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
ATM Q13315 2/20 0.40
PTPRC P08575 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ANPEP P15144 1/20 0.39
PTPN2 P17706 2/20 0.38
PTPRA P18433 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL5167932 0.80 ATM (0.45) CCR3ALDH1A1ATMUTS2RL3MBTL1
SCHEMBL5163594 0.76 PGK1 (0.59) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL5178818 0.74 PPARG (0.38) CCR3ALDH1A1ATMUTS2RL3MBTL1
SCHEMBL4316972 0.70 PTPN1 (0.74) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL5165050 0.69 PGK1 (0.50) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL7660739 0.69 PGK1 (0.59) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL5166585 0.68 PTPN1 (0.55) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL7890197 0.68 PGK1 (0.51) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL5163005 0.68 PTPN5 (0.57) PTPN1PGK1PGK2PTPRCPTPN2
SCHEMBL7188019 0.68 PGK1 (0.57) PTPN1PGK1PGK2PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 WO disclosed