SCHEMBL9211554

SCHEMBL9211554

NC(=O)C(O)(Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 2/20 0.52
KCNN4 O15554 11/20 0.47
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CYP2D6 P10635 2/20 0.39
LMNA P02545 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
SCHEMBL29614400 0.81 CYP1A2 (0.62) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL1922803 0.81 CYP1A2 (0.62) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL71911 0.81 CYP1A2 (0.62) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL11842568 0.81 CYP1A2 (0.70) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL4556174 0.79 MAPT (0.56) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL14101147 0.78 MAPT (0.50) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL7593594 0.77 MAPT (0.54) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL4778710 0.77 MAPT (0.59) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL366365 0.76 MAPT (0.58) MAPTKMT2ACYP1A2KCNN4HTT
SCHEMBL10811339 0.76 MAPT (0.58) MAPTKMT2ACYP1A2KCNN4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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