SCHEMBL7471620

SCHEMBL7471620

O=C1Nc2cc(Cl)c(Cl)cc2C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 3/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
PBRM1 Q86U86 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
IDO1 P14902 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 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
SCHEMBL4589633 0.83 TSHR (0.41) SLC6A3SLC6A2ALDH1A1KDM4EMAPT
SCHEMBL7463659 0.82 BRD4 (0.51) BRD4MAPTLMNATP53CYP1A2
SCHEMBL5675400 0.80 PBRM1 (0.42) BRD4LMNAPBRM1IDO1
SCHEMBL2828597 0.77 IDO1 (0.51) BRD4CA2ALDH1A1KDM4EMAPT
SCHEMBL31728057 0.77 IDO1 (0.51) BRD4CA2ALDH1A1KDM4EMAPT
SCHEMBL29141202 0.77 BRD4 (0.52) BRD4CA2ALDH1A1MAPTLMNA
SCHEMBL30639041 0.77 BRD4 (0.52) BRD4CA2ALDH1A1MAPTLMNA
SCHEMBL29242312 0.77 PBRM1 (0.45) SLC6A3SLC6A2ALDH1A1KDM4EMAPT
SCHEMBL9834763 0.76 BRD4 (0.46) BRD4KDM4EMAPTLMNATP53
SCHEMBL5675756 0.76 KMT2A (0.46) ALDH1A1KDM4EMAPTLMNAUSP2

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-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
EP-0687251-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) 1995-12-20 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