SCHEMBL7470620

SCHEMBL7470620

COc1ccc(S(=O)(=O)N2C(=O)C(NCCOCCN)(c3ccccc3Cl)c3cc(Cl)ccc32)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
AVPR1A P37288 3/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
AVPR2 P30518 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
AVPR1B P47901 5/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CMA1 P23946 2/20 0.35
CTSG P08311 1/20 0.35
HTR6 P50406 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 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
Trifluoroacetic Acid SCHEMBL8742824 0.94 AVPR1A (0.41) MAPK1AVPR1ATSHRCYP3A4ALOX15
SCHEMBL7473645 0.86 AVPR1B (0.48) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7472360 0.81 NPSR1 (0.38) MAPK1AVPR1ATSHRCYP3A4ALOX15
Trifluoroacetic Acid SCHEMBL8742977 0.78 NPSR1 (0.36) AVPR1BALDH1A1MAPTMEN1KMT2A
SCHEMBL7467560 0.74 NPSR1 (0.38) AVPR1AAVPR1BMAPTMEN1KMT2A
SCHEMBL9220661 0.74 MAPK1 (0.38) MAPK1TSHRCYP3A4ALDH1A1MEN1
SCHEMBL7473790 0.72 LMNA (0.46) MAPK1TSHRALDH1A1MAPTKMT2A
SCHEMBL7467489 0.72 AVPR1B (0.39) MAPK1AVPR1ATSHRCYP3A4ALOX15
SCHEMBL7477246 0.72 NPSR1 (0.39) MAPK1AVPR1ATSHRCYP3A4ALOX15
Water SCHEMBL8590384 0.72 LMNA (0.45) MAPK1TSHRALDH1A1MAPTKMT2A

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