SCHEMBL7470458

SCHEMBL7470458

CCN(CC)CCC(=O)NC1(c2ccccc2Cl)C(=O)N(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)N(CC)CC)c2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 2/20 0.38
IDO1 P14902 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
SCHEMBL7469139 0.89 PTPN11 (0.39) PTPN11USP2ALDH1A1TSHRPOLB
Trifluoroacetic Acid SCHEMBL8742747 0.85 PTPN11 (0.37) PTPN11
SCHEMBL7467895 0.83 PTPN11 (0.41) PTPN11
Water SCHEMBL8742754 0.83 PTPN11 (0.36) PTPN11USP2ALDH1A1TSHRMAPT
SCHEMBL7466247 0.82 PTPN11 (0.39) PTPN11USP2ALDH1A1TSHRMAPT
SCHEMBL7466955 0.81 PTPN11 (0.37) PTPN11USP2ALDH1A1TSHRMAPT
Trifluoroacetic Acid SCHEMBL8590187 0.80 PTPN11 (0.39) PTPN11
SCHEMBL7477081 0.79 GPR119 (0.49) USP2ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL8742909 0.78 PTPN11 (0.35) PTPN11TSHRMAPTLMNAPOLB
SCHEMBL7472874 0.76 PTPN11 (0.38) 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 4 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
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 US disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 US 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