SCHEMBL7470033

SCHEMBL7470033

COc1c(Br)ccc(CN)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
NQO2 P16083 1/20 0.35
HTR2A P28223 5/20 0.33
HTR2C P28335 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA1 P00915 2/20 0.33
CA6 P23280 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2B P41595 1/20 0.32
TSHR P16473 1/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12071515 0.85 TAAR1 (0.46) MAPTHTR2AHTR2CTAAR1CYP1A2
SCHEMBL14725634 0.82 NQO2 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL16979114 0.82 MEN1 (0.39) MEN1USP2MAPTALOX15KMT2A
SCHEMBL6706730 0.77 TAAR1 (0.32) TAAR1
Hydrochloric Acid SCHEMBL7084948 0.77 AOC3 (0.45) MEN1MAPTKMT2ACYP1A2TSHR
SCHEMBL9292546 0.77 NQO2 (0.42) MEN1USP2MAPTALOX15KMT2A
Hydrochloric Acid SCHEMBL23218712 0.74 IDO1 (0.42) MEN1MAPTKMT2ANQO2HTR2A
SCHEMBL31142935 0.74 IDO1 (0.42) MEN1MAPTKMT2ANQO2HTR2A
SCHEMBL560920 0.74 IDO1 (0.42) MEN1MAPTKMT2ANQO2HTR2A
Hydrochloric Acid SCHEMBL29853016 0.74 IDO1 (0.42) MEN1MAPTKMT2ANQO2HTR2A

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