SCHEMBL7466247

SCHEMBL7466247

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)N3C(=O)C(NCC4CCNCC4)(c4ccccc4Cl)c4cc(Cl)ccc43)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM1B Q8NB78 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7466955 0.94 PTPN11 (0.37) PTPN11TP53LMNAMAPTUSP2
Trifluoroacetic Acid SCHEMBL8742909 0.90 PTPN11 (0.35) PTPN11TP53LMNAKDM1AKDM1B
SCHEMBL7471039 0.85 NPSR1 (0.37) TP53LMNAMAPTTSHR
SCHEMBL7467895 0.84 PTPN11 (0.41) PTPN11
SCHEMBL9218065 0.83 POLB (0.35) PTPN11TP53LMNAKDM1AMAOB
SCHEMBL7477081 0.83 GPR119 (0.49) USP2ALDH1A1TSHR
SCHEMBL7470458 0.82 PTPN11 (0.40) PTPN11LMNAMAPTUSP2ALDH1A1
SCHEMBL7469139 0.82 PTPN11 (0.39) PTPN11USP2ALDH1A1TSHRPOLB
Trifluoroacetic Acid SCHEMBL8742751 0.81 CACNA1B (0.38) TP53MAPTUSP2ALDH1A1
Trifluoroacetic Acid SCHEMBL8590187 0.81 PTPN11 (0.39) PTPN11

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-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed